N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide

C14H23N3O — CID 35592612

IUPACN-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide
SMILESCCCn1nc(C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyUMPHJWBNRCTYKB-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.12
Rot. Bonds4

About N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide

N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide (PubChem CID 35592612) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide
PubChem CID35592612
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide
SMILESCCCn1nc(C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyUMPHJWBNRCTYKB-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide (CID 35592612) is N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide is CCCn1nc(C)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide?
The InChIKey is UMPHJWBNRCTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide?
N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide has a molecular weight of 249.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 35592612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).