4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C10H15F3N4O — CID 63103232

IUPAC4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H15F3N4O/c1-6(2)4-17(5-10(11,12)13)9(18)8-7(14)3-15-16-8/h3,6H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyKZARYXQQMDNYLB-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.65
Rot. Bonds4

About 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63103232) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID63103232
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H15F3N4O/c1-6(2)4-17(5-10(11,12)13)9(18)8-7(14)3-15-16-8/h3,6H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyKZARYXQQMDNYLB-UHFFFAOYSA-N
XLogP1.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1H-pyrazole-5-carboxamide
CID 580973
4-((1E)-3,3-Dimethyltriaz-1-en-1-yl)-1H-pyrazole-3-carboxamide
CID 279946
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
4-amino-N-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63107017
4-amino-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 107345100
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
N-(2,2-dimethylpropyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 71849508
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97588991
4-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65355479
4-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65356109
4-amino-N-methyl-2-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 70095832
4-Amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 70114378

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 63103232) is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KZARYXQQMDNYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)4-17(5-10(11,12)13)9(18)8-7(14)3-15-16-8/h3,6H,4-5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).