N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C11H16F3N3O — CID 54876830

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C11H16F3N3O/c1-3-9(4-2)17(7-11(12,13)14)10(18)8-5-15-16-6-8/h5-6,9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeySLCMEHTTYZWMEJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.60
Rot. Bonds5

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54876830) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54876830
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C11H16F3N3O/c1-3-9(4-2)17(7-11(12,13)14)10(18)8-5-15-16-6-8/h5-6,9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeySLCMEHTTYZWMEJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54876830) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SLCMEHTTYZWMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-9(4-2)17(7-11(12,13)14)10(18)8-5-15-16-6-8/h5-6,9H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).