2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

C12H21N3 — CID 43662358

IUPAC2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccn[nH]2)C1C
InChIInChI=1S/C12H21N3/c1-9-4-3-5-12(10(9)2)13-8-11-6-7-14-15-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyDZTJOOTWWOATSW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds3

About 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 43662358) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID43662358
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccn[nH]2)C1C
InChIInChI=1S/C12H21N3/c1-9-4-3-5-12(10(9)2)13-8-11-6-7-14-15-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyDZTJOOTWWOATSW-UHFFFAOYSA-N
XLogP2.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (CID 43662358) is 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is CC1CCCC(NCc2ccn[nH]2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is DZTJOOTWWOATSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-4-3-5-12(10(9)2)13-8-11-6-7-14-15-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43662358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).