1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide

C21H25N5O3S — CID 46468442

IUPAC1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H25N5O3S/c1-24-16-19(30(28,29)25-11-3-2-4-12-25)14-20(24)21(27)22-15-17-6-8-18(9-7-17)26-13-5-10-23-26/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,22,27)
InChIKeyUHRZLBFLJATWKM-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.32
Rot. Bonds6

About 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide

1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 46468442) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID46468442
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H25N5O3S/c1-24-16-19(30(28,29)25-11-3-2-4-12-25)14-20(24)21(27)22-15-17-6-8-18(9-7-17)26-13-5-10-23-26/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,22,27)
InChIKeyUHRZLBFLJATWKM-UHFFFAOYSA-N
XLogP2.32
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
1-methyl-4-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrole-2-carboxamide
CID 46409954
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 37311695
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55742784
N-[(4-pyrazol-1-ylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55753804
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-[(5-bromo-2-fluorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55632423
1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 56577539
1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 55711297
1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51266579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide (CID 46468442) is 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is UHRZLBFLJATWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-24-16-19(30(28,29)25-11-3-2-4-12-25)14-20(24)21(27)22-15-17-6-8-18(9-7-17)26-13-5-10-23-26/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,22,27).
What are the key properties of 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide?
1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 46468442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).