N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide

C17H29N3O — CID 19575849

IUPACN-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-11-15(12(2)20(6)19-11)16(21)18-14-9-7-13(8-10-14)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,21)
InChIKeyLUDNYMHSBDKXIY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.37
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19575849) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19575849
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-11-15(12(2)20(6)19-11)16(21)18-14-9-7-13(8-10-14)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,21)
InChIKeyLUDNYMHSBDKXIY-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 19575849) is N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is LUDNYMHSBDKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11-15(12(2)20(6)19-11)16(21)18-14-9-7-13(8-10-14)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,21).
What are the key properties of N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19575849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).