N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide

C13H13F2N3O — CID 18112634

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2N3O/c1-8(9-3-4-11(14)12(15)5-9)17-13(19)10-6-16-18(2)7-10/h3-8H,1-2H3,(H,17,19)
InChIKeyRXSYVEUZQKZVRH-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 18112634) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID18112634
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2N3O/c1-8(9-3-4-11(14)12(15)5-9)17-13(19)10-6-16-18(2)7-10/h3-8H,1-2H3,(H,17,19)
InChIKeyRXSYVEUZQKZVRH-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86995231
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide (CID 18112634) is N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is RXSYVEUZQKZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8(9-3-4-11(14)12(15)5-9)17-13(19)10-6-16-18(2)7-10/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 18112634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).