4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C9H13F3N4O — CID 62076213

IUPAC4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O/c1-4(2)6-5(13)7(16-15-6)8(17)14-3-9(10,11)12/h4H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDJUXYKNJCZPWAX-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62076213) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62076213
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O/c1-4(2)6-5(13)7(16-15-6)8(17)14-3-9(10,11)12/h4H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDJUXYKNJCZPWAX-UHFFFAOYSA-N
XLogP1.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 194
CID 121279630
4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279947
4-(dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 279949
1H-Pyrazole-3-carboxamide, 4-amino-5-methyl-N-(3-methylbutyl)-
CID 3061962
4-amino-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
CID 16099749
4-[[butyl(methyl)amino]diazenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279950
5-Methyl-7-hydroxy-3-isopropylpyrazolo[4,3-d]pyrimidine
CID 136355271
3,5-Di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 136748515
5-Butyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 172465650
5-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 40053012
5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide
CID 164638120
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68889748

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62076213) is 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DJUXYKNJCZPWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-4(2)6-5(13)7(16-15-6)8(17)14-3-9(10,11)12/h4H,3,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).