3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

C11H19N3 — CID 43662554

IUPAC3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccn[nH]2)C1
InChIInChI=1S/C11H19N3/c1-9-3-2-4-10(7-9)12-8-11-5-6-13-14-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyQZHIIXPXAKDLNL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 43662554) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID43662554
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccn[nH]2)C1
InChIInChI=1S/C11H19N3/c1-9-3-2-4-10(7-9)12-8-11-5-6-13-14-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyQZHIIXPXAKDLNL-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (CID 43662554) is 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is CC1CCCC(NCc2ccn[nH]2)C1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is QZHIIXPXAKDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-3-2-4-10(7-9)12-8-11-5-6-13-14-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43662554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).