N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H15F2N3O — CID 61276301

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-7(11-6-10(15)4-5-12(11)16)17-14(20)13-8(2)18-19-9(13)3/h4-7H,1-3H3,(H,17,20)(H,18,19)
InChIKeyFQPZNVVLGWUBQJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61276301) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61276301
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-7(11-6-10(15)4-5-12(11)16)17-14(20)13-8(2)18-19-9(13)3/h4-7H,1-3H3,(H,17,20)(H,18,19)
InChIKeyFQPZNVVLGWUBQJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259565
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(3-bromophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54896629
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60737083
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113357186
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
CID 78984250

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61276301) is N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is FQPZNVVLGWUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-7(11-6-10(15)4-5-12(11)16)17-14(20)13-8(2)18-19-9(13)3/h4-7H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61276301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).