N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide

C11H17N3O — CID 68989755

IUPACN-(1-methylpyrazol-4-yl)cyclohexanecarboxamide
SMILESCn1cc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(7-12-14)13-11(15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyOTRGXGPYGPWOKB-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.94
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide

N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide (PubChem CID 68989755) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)cyclohexanecarboxamide
PubChem CID68989755
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(1-methylpyrazol-4-yl)cyclohexanecarboxamide
SMILESCn1cc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(7-12-14)13-11(15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyOTRGXGPYGPWOKB-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide (CID 68989755) is N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide is Cn1cc(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide?
The InChIKey is OTRGXGPYGPWOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-10(7-12-14)13-11(15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide?
N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 68989755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).