3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine

C14H25N3 — CID 82870644

IUPAC3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Cc2ccn(C)n2)C1
InChIInChI=1S/C14H25N3/c1-3-8-15-13-6-4-5-12(10-13)11-14-7-9-17(2)16-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3
InChIKeyBFVZPKFCEGWTCZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds5

About 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine

3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 82870644) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID82870644
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Cc2ccn(C)n2)C1
InChIInChI=1S/C14H25N3/c1-3-8-15-13-6-4-5-12(10-13)11-14-7-9-17(2)16-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3
InChIKeyBFVZPKFCEGWTCZ-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
CID 64801922
N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64801340
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 115320188
3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
CID 104811976
N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104737007
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 112749641
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870233
3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
CID 105375525
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine (CID 82870644) is 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCC(Cc2ccn(C)n2)C1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is BFVZPKFCEGWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-15-13-6-4-5-12(10-13)11-14-7-9-17(2)16-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine?
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 82870644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).