N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide

C11H14F3N3O — CID 60788329

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-9(4-8)17-10(18)7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18)
InChIKeyWUMDXUGIPKWLTH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.26
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide

N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 60788329) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID60788329
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-9(4-8)17-10(18)7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18)
InChIKeyWUMDXUGIPKWLTH-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide (CID 60788329) is N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WUMDXUGIPKWLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-9(4-8)17-10(18)7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60788329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).