N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C17H27N3O — CID 166326688

IUPACN-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2(C3CC3)CCCCC2)n(C)n1
InChIInChI=1S/C17H27N3O/c1-12(2)14-11-15(20(3)19-14)16(21)18-17(13-7-8-13)9-5-4-6-10-17/h11-13H,4-10H2,1-3H3,(H,18,21)
InChIKeyYWNTUKBIGWIZJO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.39
Rot. Bonds4

About N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 166326688) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID166326688
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2(C3CC3)CCCCC2)n(C)n1
InChIInChI=1S/C17H27N3O/c1-12(2)14-11-15(20(3)19-14)16(21)18-17(13-7-8-13)9-5-4-6-10-17/h11-13H,4-10H2,1-3H3,(H,18,21)
InChIKeyYWNTUKBIGWIZJO-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 166326688) is N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NC2(C3CC3)CCCCC2)n(C)n1.
What is the InChIKey of N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is YWNTUKBIGWIZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)14-11-15(20(3)19-14)16(21)18-17(13-7-8-13)9-5-4-6-10-17/h11-13H,4-10H2,1-3H3,(H,18,21).
What are the key properties of N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 166326688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).