2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole

C16H21N9 — CID 141190758

IUPAC2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole
SMILESC1=CNN(C2(c3ncc[nH]3)C(c3ccn[nH]3)CCN2N2C=NCC2)C1
InChIInChI=1S/C16H21N9/c1-4-21-24(9-1)16(15-18-6-7-19-15)13(14-2-5-20-22-14)3-10-25(16)23-11-8-17-12-23/h1-2,4-7,12-13,21H,3,8-11H2,(H,18,19)(H,20,22)
InChIKeyKNTBDCMSAKVCQT-UHFFFAOYSA-N
MW339.41 g/mol
LogP0.37
Rot. Bonds4

About 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole

2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole (PubChem CID 141190758) has the molecular formula C16H21N9 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole
PubChem CID141190758
Molecular FormulaC16H21N9
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC Name2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole
SMILESC1=CNN(C2(c3ncc[nH]3)C(c3ccn[nH]3)CCN2N2C=NCC2)C1
InChIInChI=1S/C16H21N9/c1-4-21-24(9-1)16(15-18-6-7-19-15)13(14-2-5-20-22-14)3-10-25(16)23-11-8-17-12-23/h1-2,4-7,12-13,21H,3,8-11H2,(H,18,19)(H,20,22)
InChIKeyKNTBDCMSAKVCQT-UHFFFAOYSA-N
XLogP0.37
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole with MolForge

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
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CID 73440521
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 73440525
4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
CID 70736676
3-[[4-(1H-imidazol-2-yl)triazol-1-yl]methyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
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2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
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3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole
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2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
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1-(1H-imidazol-2-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 72121350
(3S)-1-(1H-imidazol-2-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 96104182
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
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(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 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) is 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole is C1=CNN(C2(c3ncc[nH]3)C(c3ccn[nH]3)CCN2N2C=NCC2)C1.
What is the InChIKey of 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is KNTBDCMSAKVCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N9/c1-4-21-24(9-1)16(15-18-6-7-19-15)13(14-2-5-20-22-14)3-10-25(16)23-11-8-17-12-23/h1-2,4-7,12-13,21H,3,8-11H2,(H,18,19)(H,20,22).
What are the key properties of 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole?
2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 339.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 141190758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).