5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole

C23H23N5 — CID 95119449

IUPAC5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole
SMILESCc1c(-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5/c1-17-21(15-26-28(17)19-10-6-3-7-11-19)23-22(18-8-4-2-5-9-18)25-16-27(23)20-12-13-24-14-20/h2-11,15-16,20,24H,12-14H2,1H3/t20-/m0/s1
InChIKeyDUQRMVUMIKBJCY-FQEVSTJZSA-N
MW369.47 g/mol
LogP4.25
Rot. Bonds4

About 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole

5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole (PubChem CID 95119449) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole
PubChem CID95119449
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole
SMILESCc1c(-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5/c1-17-21(15-26-28(17)19-10-6-3-7-11-19)23-22(18-8-4-2-5-9-18)25-16-27(23)20-12-13-24-14-20/h2-11,15-16,20,24H,12-14H2,1H3/t20-/m0/s1
InChIKeyDUQRMVUMIKBJCY-FQEVSTJZSA-N
XLogP4.25
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyrazole
CID 50948117
5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole
CID 95217578
6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433733
2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine
CID 50982493
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
CID 115053842
4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
CID 124565058
1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
CID 22063831
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
6-phenyl-3-[(3S)-pyrrolidin-3-yl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 154909653
3-(5-methyl-2-phenylimidazol-1-yl)piperidine
CID 90488061

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole?
The IUPAC name of 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole (CID 95119449) is 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole.
What is the SMILES notation for 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole?
The canonical SMILES for 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole is Cc1c(-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole?
The InChIKey is DUQRMVUMIKBJCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N5/c1-17-21(15-26-28(17)19-10-6-3-7-11-19)23-22(18-8-4-2-5-9-18)25-16-27(23)20-12-13-24-14-20/h2-11,15-16,20,24H,12-14H2,1H3/t20-/m0/s1.
What are the key properties of 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole?
5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole has a molecular weight of 369.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole is sourced from PubChem (CID 95119449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).