(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone

C21H24N4O — CID 58724571

IUPAC(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CCCC(Cc3ccccc3)C2)c1-n1cccc1
InChIInChI=1S/C21H24N4O/c1-23-20(24-11-5-6-12-24)19(15-22-23)21(26)25-13-7-10-18(16-25)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,15,18H,7,10,13-14,16H2,1H3
InChIKeyBNZUZYANARWRNB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds4

About (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone

(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone (PubChem CID 58724571) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
PubChem CID58724571
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CCCC(Cc3ccccc3)C2)c1-n1cccc1
InChIInChI=1S/C21H24N4O/c1-23-20(24-11-5-6-12-24)19(15-22-23)21(26)25-13-7-10-18(16-25)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,15,18H,7,10,13-14,16H2,1H3
InChIKeyBNZUZYANARWRNB-UHFFFAOYSA-N
XLogP3.31
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 55178974
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355439
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 115875027
ethyl 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 20914930
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone;hydrochloride
CID 71963877
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
4-[[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 95721678
(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 92668645

Frequently Asked Questions

What is the IUPAC name of (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The IUPAC name of (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone (CID 58724571) is (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The canonical SMILES for (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone is Cn1ncc(C(=O)N2CCCC(Cc3ccccc3)C2)c1-n1cccc1.
What is the InChIKey of (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The InChIKey is BNZUZYANARWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-23-20(24-11-5-6-12-24)19(15-22-23)21(26)25-13-7-10-18(16-25)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,15,18H,7,10,13-14,16H2,1H3.
What are the key properties of (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 58724571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).