N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide

C12H19N3O — CID 19575432

IUPACN-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1nccc1CNC(=O)C1CCCCC1
InChIInChI=1S/C12H19N3O/c1-15-11(7-8-14-15)9-13-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,13,16)
InChIKeyIMVUAAGIFPFJKE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide

N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 19575432) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID19575432
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1nccc1CNC(=O)C1CCCCC1
InChIInChI=1S/C12H19N3O/c1-15-11(7-8-14-15)9-13-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,13,16)
InChIKeyIMVUAAGIFPFJKE-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide (CID 19575432) is N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide is Cn1nccc1CNC(=O)C1CCCCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is IMVUAAGIFPFJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-11(7-8-14-15)9-13-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,13,16).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 19575432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).