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

C11H17F3N4O — CID 62080719

IUPAC4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C11H17F3N4O/c1-3-4-5-18(6-11(12,13)14)10(19)9-8(15)7(2)16-17-9/h3-6,15H2,1-2H3,(H,16,17)
InChIKeyQINWEQNNSGACMQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.10
Rot. Bonds5

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

4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080719) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080719
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C11H17F3N4O/c1-3-4-5-18(6-11(12,13)14)10(19)9-8(15)7(2)16-17-9/h3-6,15H2,1-2H3,(H,16,17)
InChIKeyQINWEQNNSGACMQ-UHFFFAOYSA-N
XLogP2.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
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4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
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4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
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4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075419
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 62082662
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
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4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080467
N-butyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 71969971
3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61107685

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62080719) is 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QINWEQNNSGACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-4-5-18(6-11(12,13)14)10(19)9-8(15)7(2)16-17-9/h3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).