(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone

C21H24N4O — CID 154846097

IUPAC(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C1CCN(C(=O)c2cc(Cc3ccccc3)c[nH]2)CC1
InChIInChI=1S/C21H24N4O/c1-15-19(14-23-24-15)18-7-9-25(10-8-18)21(26)20-12-17(13-22-20)11-16-5-3-2-4-6-16/h2-6,12-14,18,22H,7-11H2,1H3,(H,23,24)
InChIKeyYFWLQIFCFOGWTJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.66
Rot. Bonds4

About (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone

(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 154846097) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID154846097
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C1CCN(C(=O)c2cc(Cc3ccccc3)c[nH]2)CC1
InChIInChI=1S/C21H24N4O/c1-15-19(14-23-24-15)18-7-9-25(10-8-18)21(26)20-12-17(13-22-20)11-16-5-3-2-4-6-16/h2-6,12-14,18,22H,7-11H2,1H3,(H,23,24)
InChIKeyYFWLQIFCFOGWTJ-UHFFFAOYSA-N
XLogP3.66
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 126808000
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
1-[1-(4-benzyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166304225
[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 56754434
[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
CID 70848896
4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 166286942
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone
CID 166828874
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769
4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
CID 154778650
5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone (CID 154846097) is (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone is Cc1[nH]ncc1C1CCN(C(=O)c2cc(Cc3ccccc3)c[nH]2)CC1.
What is the InChIKey of (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is YFWLQIFCFOGWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-19(14-23-24-15)18-7-9-25(10-8-18)21(26)20-12-17(13-22-20)11-16-5-3-2-4-6-16/h2-6,12-14,18,22H,7-11H2,1H3,(H,23,24).
What are the key properties of (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154846097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).