[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine

C16H29N3 — CID 81012781

IUPAC[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cc(C)nn2C)C1
InChIInChI=1S/C16H29N3/c1-4-5-13-6-7-14(11-17)15(9-13)10-16-8-12(2)18-19(16)3/h8,13-15H,4-7,9-11,17H2,1-3H3
InChIKeyPIAVHFVFRVTZEO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.06
Rot. Bonds5

About [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine

[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 81012781) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID81012781
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cc(C)nn2C)C1
InChIInChI=1S/C16H29N3/c1-4-5-13-6-7-14(11-17)15(9-13)10-16-8-12(2)18-19(16)3/h8,13-15H,4-7,9-11,17H2,1-3H3
InChIKeyPIAVHFVFRVTZEO-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine (CID 81012781) is [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Cc2cc(C)nn2C)C1.
What is the InChIKey of [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is PIAVHFVFRVTZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-5-13-6-7-14(11-17)15(9-13)10-16-8-12(2)18-19(16)3/h8,13-15H,4-7,9-11,17H2,1-3H3.
What are the key properties of [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81012781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).