1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole

C14H21N5 — CID 114721843

IUPAC1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cn1cncc1C1(C)CCNC1
InChIInChI=1S/C14H21N5/c1-11-12(7-18(3)17-11)8-19-10-16-6-13(19)14(2)4-5-15-9-14/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyPPKBTDOWLCKMDC-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.22
Rot. Bonds3

About 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole

1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole (PubChem CID 114721843) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole
PubChem CID114721843
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cn1cncc1C1(C)CCNC1
InChIInChI=1S/C14H21N5/c1-11-12(7-18(3)17-11)8-19-10-16-6-13(19)14(2)4-5-15-9-14/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyPPKBTDOWLCKMDC-UHFFFAOYSA-N
XLogP1.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine
CID 114722754
1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114720615
5-(3-methylpyrrolidin-3-yl)-1-[(2-nitrophenyl)methyl]imidazole
CID 114719094
N,N-dimethyl-2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethanamine
CID 114717474
1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine
CID 107165726
1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 106194376
1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114719456
ethyl 3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanoate
CID 114719022
1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114717837
4-methyl-4-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114721609
5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
CID 114721941
1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114722631

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole (CID 114721843) is 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole is Cc1nn(C)cc1Cn1cncc1C1(C)CCNC1.
What is the InChIKey of 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole?
The InChIKey is PPKBTDOWLCKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-12(7-18(3)17-11)8-19-10-16-6-13(19)14(2)4-5-15-9-14/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole?
1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole has a molecular weight of 259.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 114721843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).