1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C10H10F3N5O — CID 4773406

IUPAC1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C10H10F3N5O/c1-17-3-2-8(16-17)9(19)15-7-4-14-18(5-7)6-10(11,12)13/h2-5H,6H2,1H3,(H,15,19)
InChIKeyUZDPCVPBCRNFNH-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.43
Rot. Bonds3

About 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide

1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 4773406) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID4773406
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C10H10F3N5O/c1-17-3-2-8(16-17)9(19)15-7-4-14-18(5-7)6-10(11,12)13/h2-5H,6H2,1H3,(H,15,19)
InChIKeyUZDPCVPBCRNFNH-UHFFFAOYSA-N
XLogP1.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 4773406) is 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)n1.
What is the InChIKey of 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is UZDPCVPBCRNFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-17-3-2-8(16-17)9(19)15-7-4-14-18(5-7)6-10(11,12)13/h2-5H,6H2,1H3,(H,15,19).
What are the key properties of 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 273.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 4773406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).