N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide

C6H7F2N3O — CID 91159395

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide
SMILESCn1cc(NC=O)c(C(F)F)n1
InChIInChI=1S/C6H7F2N3O/c1-11-2-4(9-3-12)5(10-11)6(7)8/h2-3,6H,1H3,(H,9,12)
InChIKeyRORJTDGQLYLDHX-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.93
Rot. Bonds3

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide (PubChem CID 91159395) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide
PubChem CID91159395
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide
SMILESCn1cc(NC=O)c(C(F)F)n1
InChIInChI=1S/C6H7F2N3O/c1-11-2-4(9-3-12)5(10-11)6(7)8/h2-3,6H,1H3,(H,9,12)
InChIKeyRORJTDGQLYLDHX-UHFFFAOYSA-N
XLogP0.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-1H-pyrazol-4-amine
CID 573813
1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 12687197
1,3-dimethyl-1H-pyrazol-4-amine
CID 4431056
3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 19619547
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 69281513
1-(2-fluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 69281649
5-(difluoromethyl)-1-methyl-1H-pyrazol-4-amine hydrochloride
CID 71757376
1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine hydrochloride
CID 75480753
1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine hydrochloride
CID 75481704
1-(difluoromethyl)-3-methyl-1H-pyrazol-4-amine hydrochloride
CID 90482916
1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 137698864
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 19620734

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide (CID 91159395) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide is Cn1cc(NC=O)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide?
The InChIKey is RORJTDGQLYLDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-11-2-4(9-3-12)5(10-11)6(7)8/h2-3,6H,1H3,(H,9,12).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide has a molecular weight of 175.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide is sourced from PubChem (CID 91159395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).