1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

C12H21N3 — CID 115630442

IUPAC1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)(NCc2ccn[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-10-3-6-12(2,7-4-10)13-9-11-5-8-14-15-11/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,14,15)
InChIKeyRJUZMFZAAQGRMK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds3

About 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 115630442) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID115630442
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)(NCc2ccn[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-10-3-6-12(2,7-4-10)13-9-11-5-8-14-15-11/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,14,15)
InChIKeyRJUZMFZAAQGRMK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110249240
N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
CID 75438377
(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine
CID 164638732
(1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine
CID 100637144
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730463
N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730464
N-(1H-pyrazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730467
N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730749
N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747488
N-[1-(1H-pyrazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54881763
N-[1-(1H-pyrazol-5-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 54881765
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 54881863

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (CID 115630442) is 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is CC1CCC(C)(NCc2ccn[nH]2)CC1.
What is the InChIKey of 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is RJUZMFZAAQGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-3-6-12(2,7-4-10)13-9-11-5-8-14-15-11/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 115630442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).