4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide

C10H13F3N4O — CID 106208216

IUPAC4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2(C(F)(F)F)CC2)c1N
InChIInChI=1S/C10H13F3N4O/c1-2-5-6(14)7(17-16-5)8(18)15-9(3-4-9)10(11,12)13/h2-4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyZXUCWQVVPZYICL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.38
Rot. Bonds3

About 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 106208216) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
PubChem CID106208216
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2(C(F)(F)F)CC2)c1N
InChIInChI=1S/C10H13F3N4O/c1-2-5-6(14)7(17-16-5)8(18)15-9(3-4-9)10(11,12)13/h2-4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyZXUCWQVVPZYICL-UHFFFAOYSA-N
XLogP1.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.38
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
4-(dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 279949
4-amino-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
CID 16099749
4-Amino-5-ethyl-1H-pyrazole-3-carboxamide
CID 16228836
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
N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126768307
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68889748
4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 55033874
4-amino-N,5-diethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 55033908

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide (CID 106208216) is 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2(C(F)(F)F)CC2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZXUCWQVVPZYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-2-5-6(14)7(17-16-5)8(18)15-9(3-4-9)10(11,12)13/h2-4,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106208216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).