5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide

C14H16F2N4O — CID 125173476

IUPAC5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cccnc1C[C@@H](C)NC(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C14H16F2N4O/c1-8-4-3-5-17-10(8)6-9(2)18-14(21)12-7-11(13(15)16)19-20-12/h3-5,7,9,13H,6H2,1-2H3,(H,18,21)(H,19,20)/t9-/m1/s1
InChIKeyBDJBMBGLISEZHZ-SECBINFHSA-N
MW294.31 g/mol
LogP2.41
Rot. Bonds5

About 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 125173476) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID125173476
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cccnc1C[C@@H](C)NC(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C14H16F2N4O/c1-8-4-3-5-17-10(8)6-9(2)18-14(21)12-7-11(13(15)16)19-20-12/h3-5,7,9,13H,6H2,1-2H3,(H,18,21)(H,19,20)/t9-/m1/s1
InChIKeyBDJBMBGLISEZHZ-SECBINFHSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 99973339
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56868831
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126439867
1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea
CID 74242617
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 124852129
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 169410706
5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 125447012

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide (CID 125173476) is 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide is Cc1cccnc1C[C@@H](C)NC(=O)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is BDJBMBGLISEZHZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-8-4-3-5-17-10(8)6-9(2)18-14(21)12-7-11(13(15)16)19-20-12/h3-5,7,9,13H,6H2,1-2H3,(H,18,21)(H,19,20)/t9-/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125173476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).