N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C18H26F3N3O — CID 4768386

IUPACN,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C18H26F3N3O/c1-23-16(18(19,20)21)12-15(22-23)17(25)24(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyKRAVJFAMBOBHTL-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.55
Rot. Bonds3

About N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4768386) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4768386
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC NameN,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C18H26F3N3O/c1-23-16(18(19,20)21)12-15(22-23)17(25)24(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyKRAVJFAMBOBHTL-UHFFFAOYSA-N
XLogP4.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4768386) is N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is KRAVJFAMBOBHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-23-16(18(19,20)21)12-15(22-23)17(25)24(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3.
What are the key properties of N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).