N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C9H11F2N3O — CID 139028816

IUPACN-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2)c(C(F)F)n1
InChIInChI=1S/C9H11F2N3O/c1-14-4-6(7(13-14)8(10)11)9(15)12-5-2-3-5/h4-5,8H,2-3H2,1H3,(H,12,15)
InChIKeyAKKJZBNAEHQQMC-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.25
Rot. Bonds3

About N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 139028816) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID139028816
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2)c(C(F)F)n1
InChIInChI=1S/C9H11F2N3O/c1-14-4-6(7(13-14)8(10)11)9(15)12-5-2-3-5/h4-5,8H,2-3H2,1H3,(H,12,15)
InChIKeyAKKJZBNAEHQQMC-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 19622851
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 139028816) is N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC2)c(C(F)F)n1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is AKKJZBNAEHQQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-14-4-6(7(13-14)8(10)11)9(15)12-5-2-3-5/h4-5,8H,2-3H2,1H3,(H,12,15).
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 215.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139028816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).