N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

C25H31N5O2 — CID 20892793

IUPACN-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1
InChIInChI=1S/C25H31N5O2/c1-3-4-14-27(2)24(31)20-12-17-29(18-13-20)25(32)22-19-26-30(21-10-6-5-7-11-21)23(22)28-15-8-9-16-28/h5-11,15-16,19-20H,3-4,12-14,17-18H2,1-2H3
InChIKeyANOPDVDCSOYLPI-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.77
Rot. Bonds7

About N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 20892793) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID20892793
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1
InChIInChI=1S/C25H31N5O2/c1-3-4-14-27(2)24(31)20-12-17-29(18-13-20)25(32)22-19-26-30(21-10-6-5-7-11-21)23(22)28-15-8-9-16-28/h5-11,15-16,19-20H,3-4,12-14,17-18H2,1-2H3
InChIKeyANOPDVDCSOYLPI-UHFFFAOYSA-N
XLogP3.77
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 55980139
(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 20892795
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20915096
ethyl 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 20914930
N-[3-[butyl(methyl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892610
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
1-[1-(4-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 30388139
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 6623449
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 20892793) is N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is ANOPDVDCSOYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-4-14-27(2)24(31)20-12-17-29(18-13-20)25(32)22-19-26-30(21-10-6-5-7-11-21)23(22)28-15-8-9-16-28/h5-11,15-16,19-20H,3-4,12-14,17-18H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20892793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).