1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide

C15H20F2N4O — CID 134711551

IUPAC1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide
SMILESCCCn1nc(C)c(NC(=O)c2ccc(C)n2C(F)F)c1C
InChIInChI=1S/C15H20F2N4O/c1-5-8-20-11(4)13(10(3)19-20)18-14(22)12-7-6-9(2)21(12)15(16)17/h6-7,15H,5,8H2,1-4H3,(H,18,22)
InChIKeyORSIKWCZKIIACC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.67
Rot. Bonds5

About 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide

1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide (PubChem CID 134711551) has the molecular formula C15H20F2N4O and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide
PubChem CID134711551
Molecular FormulaC15H20F2N4O
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide
SMILESCCCn1nc(C)c(NC(=O)c2ccc(C)n2C(F)F)c1C
InChIInChI=1S/C15H20F2N4O/c1-5-8-20-11(4)13(10(3)19-20)18-14(22)12-7-6-9(2)21(12)15(16)17/h6-7,15H,5,8H2,1-4H3,(H,18,22)
InChIKeyORSIKWCZKIIACC-UHFFFAOYSA-N
XLogP3.67
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 118779571
2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide
CID 134709995
ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 21369347
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 21369322
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
N-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 134711278
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 134712526
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
CID 4864770
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
CID 21369305
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
CID 21369441

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide (CID 134711551) is 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide is CCCn1nc(C)c(NC(=O)c2ccc(C)n2C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide?
The InChIKey is ORSIKWCZKIIACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O/c1-5-8-20-11(4)13(10(3)19-20)18-14(22)12-7-6-9(2)21(12)15(16)17/h6-7,15H,5,8H2,1-4H3,(H,18,22).
What are the key properties of 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide?
1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide is sourced from PubChem (CID 134711551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).