N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

C15H17F2N3O — CID 42959972

IUPACN-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)c1[nH]ncc1C(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-8(2)14-12(7-18-20-14)15(21)19-9(3)11-5-4-10(16)6-13(11)17/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyXBOVGPZWVCRAGC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 42959972) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID42959972
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)c1[nH]ncc1C(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-8(2)14-12(7-18-20-14)15(21)19-9(3)11-5-4-10(16)6-13(11)17/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyXBOVGPZWVCRAGC-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114917734
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide
CID 125142754
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95286945
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (CID 42959972) is N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is CC(C)c1[nH]ncc1C(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is XBOVGPZWVCRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-8(2)14-12(7-18-20-14)15(21)19-9(3)11-5-4-10(16)6-13(11)17/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 42959972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).