1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide

C12H14F2N4O — CID 114609850

IUPAC1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cccn1CC(F)F
InChIInChI=1S/C12H14F2N4O/c1-8-9(6-16-17-8)5-15-12(19)10-3-2-4-18(10)7-11(13)14/h2-4,6,11H,5,7H2,1H3,(H,15,19)(H,16,17)
InChIKeyHVASKAUEMDRCCJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.71
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 114609850) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID114609850
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cccn1CC(F)F
InChIInChI=1S/C12H14F2N4O/c1-8-9(6-16-17-8)5-15-12(19)10-3-2-4-18(10)7-11(13)14/h2-4,6,11H,5,7H2,1H3,(H,15,19)(H,16,17)
InChIKeyHVASKAUEMDRCCJ-UHFFFAOYSA-N
XLogP1.71
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622
methyl 2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]acetate
CID 114610698
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 95782008
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
1-(2,2-difluoroethyl)-N-(3-ethyl-2-hydroxypentyl)pyrrole-2-carboxamide
CID 106287896
2-[[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114608914

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide (CID 114609850) is 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is HVASKAUEMDRCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-8-9(6-16-17-8)5-15-12(19)10-3-2-4-18(10)7-11(13)14/h2-4,6,11H,5,7H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114609850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).