(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C13H23N3 — CID 81387813

IUPAC(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C13H23N3/c1-11(13-6-4-3-5-7-13)14-8-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyGXJXVOSMNJTIIZ-NSHDSACASA-N
MW221.35 g/mol
LogP2.48
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81387813) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID81387813
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C13H23N3/c1-11(13-6-4-3-5-7-13)14-8-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyGXJXVOSMNJTIIZ-NSHDSACASA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 81384664
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 81387813) is (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is C[C@H](NCc1cnn(C)c1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GXJXVOSMNJTIIZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3/c1-11(13-6-4-3-5-7-13)14-8-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81387813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).