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

C9H11F3N4O — CID 55034456

IUPAC4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCC(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)3-14-8(17)7-5(13)6(15-16-7)4-1-2-4/h4H,1-3,13H2,(H,14,17)(H,15,16)
InChIKeyHMWIJUFXUGHQJB-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.16
Rot. Bonds3

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

4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 55034456) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID55034456
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCC(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)3-14-8(17)7-5(13)6(15-16-7)4-1-2-4/h4H,1-3,13H2,(H,14,17)(H,15,16)
InChIKeyHMWIJUFXUGHQJB-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279947
1H-Pyrazole-3-carboxamide, 4-amino-5-methyl-N-(3-methylbutyl)-
CID 3061962
4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
CID 47080056
4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 47426507
4-[[butyl(methyl)amino]diazenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279950
5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201432
5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 47186970
5-cyclopropyl-N-[2-[ethyl(methyl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 53538061
4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 71855601
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164639366
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68889748
4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide
CID 90038703

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 55034456) is 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)NCC(F)(F)F)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HMWIJUFXUGHQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)3-14-8(17)7-5(13)6(15-16-7)4-1-2-4/h4H,1-3,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).