N-[1-(difluoromethyl)pyrazol-4-yl]acetamide

C6H7F2N3O — CID 131112342

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(C(F)F)c1
InChIInChI=1S/C6H7F2N3O/c1-4(12)10-5-2-9-11(3-5)6(7)8/h2-3,6H,1H3,(H,10,12)
InChIKeyBCHGGHKYSYZQCA-UHFFFAOYSA-N
MW175.14 g/mol
LogP1.24
Rot. Bonds2

About N-[1-(difluoromethyl)pyrazol-4-yl]acetamide

N-[1-(difluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 131112342) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]acetamide
PubChem CID131112342
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(C(F)F)c1
InChIInChI=1S/C6H7F2N3O/c1-4(12)10-5-2-9-11(3-5)6(7)8/h2-3,6H,1H3,(H,10,12)
InChIKeyBCHGGHKYSYZQCA-UHFFFAOYSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-methyl-1H-pyrazol-4-yl)acetamide
CID 6485356
1-Ethyl-1h-pyrazol-4-amine
CID 7018640
2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 7015918
1-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 19576663
1-propyl-1H-pyrazol-4-amine
CID 19620834
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
N-ethyl-1-methyl-1H-pyrazol-4-amine
CID 43534862
1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine--hydrogen chloride (1/1)
CID 44630918
4-isocyanato-1-methyl-1H-pyrazole
CID 45790024

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]acetamide (CID 131112342) is N-[1-(difluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]acetamide is CC(=O)Nc1cnn(C(F)F)c1.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is BCHGGHKYSYZQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-4(12)10-5-2-9-11(3-5)6(7)8/h2-3,6H,1H3,(H,10,12).
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
N-[1-(difluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 175.14 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 131112342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).