N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

C14H23N3O — CID 3598089

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
SMILESCCn1cc(CNC(=O)C2CCCCC2)c(C)n1
InChIInChI=1S/C14H23N3O/c1-3-17-10-13(11(2)16-17)9-15-14(18)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyLVFRSSHWJONWOH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.41
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 3598089) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
PubChem CID3598089
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
SMILESCCn1cc(CNC(=O)C2CCCCC2)c(C)n1
InChIInChI=1S/C14H23N3O/c1-3-17-10-13(11(2)16-17)9-15-14(18)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyLVFRSSHWJONWOH-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide (CID 3598089) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide is CCn1cc(CNC(=O)C2CCCCC2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is LVFRSSHWJONWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17-10-13(11(2)16-17)9-15-14(18)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 3598089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).