(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone

C20H24N6O — CID 134701801

IUPAC(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCCN(Cc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C20H24N6O/c1-16-19(22-15-21-16)20(27)25-10-5-9-24(12-13-25)14-17-6-2-3-7-18(17)26-11-4-8-23-26/h2-4,6-8,11,15H,5,9-10,12-14H2,1H3,(H,21,22)
InChIKeyUBKZXKVFFMKTQW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.25
Rot. Bonds4

About (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone

(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 134701801) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID134701801
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCCN(Cc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C20H24N6O/c1-16-19(22-15-21-16)20(27)25-10-5-9-24(12-13-25)14-17-6-2-3-7-18(17)26-11-4-8-23-26/h2-4,6-8,11,15H,5,9-10,12-14H2,1H3,(H,21,22)
InChIKeyUBKZXKVFFMKTQW-UHFFFAOYSA-N
XLogP2.25
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone;formic acid
CID 154919565
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137338007
(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 131943447
[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131939511
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137339403
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
(2-chloro-5-pyrazol-1-ylphenyl)-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 92625750
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
2-[3-[1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072407
(4-methoxy-2-pyridinyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 75371941

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone (CID 134701801) is (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone is Cc1[nH]cnc1C(=O)N1CCCN(Cc2ccccc2-n2cccn2)CC1.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is UBKZXKVFFMKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16-19(22-15-21-16)20(27)25-10-5-9-24(12-13-25)14-17-6-2-3-7-18(17)26-11-4-8-23-26/h2-4,6-8,11,15H,5,9-10,12-14H2,1H3,(H,21,22).
What are the key properties of (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134701801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).