2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole

C23H34N12 — CID 141102979

IUPAC2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole
SMILESC1=CN(N2N(c3ncc[nH]3)C(N3CCNC3)=C(c3ccn[nH]3)C2(N2CCCC2)N2CCCN2)CC1
InChIInChI=1S/C23H34N12/c1-2-13-31(12-1)23(33-16-5-7-28-33)20(19-6-8-27-29-19)21(30-17-11-24-18-30)34(22-25-9-10-26-22)35(23)32-14-3-4-15-32/h3,6,8-10,14,24,28H,1-2,4-5,7,11-13,15-18H2,(H,25,26)(H,27,29)
InChIKeyBGVVDZBEXNLPLG-UHFFFAOYSA-N
MW478.61 g/mol
LogP0.50
Rot. Bonds6

About 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole

2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole (PubChem CID 141102979) has the molecular formula C23H34N12 and a molecular weight of 478.61 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole
PubChem CID141102979
Molecular FormulaC23H34N12
Molecular Weight478.61 g/mol
Exact Mass478.30
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole
SMILESC1=CN(N2N(c3ncc[nH]3)C(N3CCNC3)=C(c3ccn[nH]3)C2(N2CCCC2)N2CCCN2)CC1
InChIInChI=1S/C23H34N12/c1-2-13-31(12-1)23(33-16-5-7-28-33)20(19-6-8-27-29-19)21(30-17-11-24-18-30)34(22-25-9-10-26-22)35(23)32-14-3-4-15-32/h3,6,8-10,14,24,28H,1-2,4-5,7,11-13,15-18H2,(H,25,26)(H,27,29)
InChIKeyBGVVDZBEXNLPLG-UHFFFAOYSA-N
XLogP0.50
TPSA100.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

3-N-[1-[[2-[4-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]-1H-pyrrol-2-yl]ethyl-[5-[(2-methyl-1H-pyrrol-3-yl)amino]-1H-1,2,4-triazol-3-yl]amino]methyl]-4-methylpyrrol-3-yl]-1H-1,2,4-triazole-3,5-diamine
CID 130243691
2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole
CID 137079183
3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine
CID 140975142
4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole
CID 141032877
4-butyl-3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine
CID 141167220
2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole
CID 141190758
4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole
CID 141196391
5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole
CID 141198823
2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole
CID 141281799
1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole
CID 141297404
5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole
CID 141299633
1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
CID 157052577

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole (CID 141102979) is 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole is C1=CN(N2N(c3ncc[nH]3)C(N3CCNC3)=C(c3ccn[nH]3)C2(N2CCCC2)N2CCCN2)CC1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole?
The InChIKey is BGVVDZBEXNLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N12/c1-2-13-31(12-1)23(33-16-5-7-28-33)20(19-6-8-27-29-19)21(30-17-11-24-18-30)34(22-25-9-10-26-22)35(23)32-14-3-4-15-32/h3,6,8-10,14,24,28H,1-2,4-5,7,11-13,15-18H2,(H,25,26)(H,27,29).
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole?
2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole has a molecular weight of 478.61 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole is sourced from PubChem (CID 141102979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).