4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine

C13H23N3 — CID 54337901

IUPAC4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine
SMILESCCn1cc([C@H](C)C2CCCCC2)c(N)n1
InChIInChI=1S/C13H23N3/c1-3-16-9-12(13(14)15-16)10(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,14,15)/t10-/m1/s1
InChIKeyTWVCGXIAMVKQDC-SNVBAGLBSA-N
MW221.35 g/mol
LogP3.17
Rot. Bonds3

About 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine

4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine (PubChem CID 54337901) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine
PubChem CID54337901
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine
SMILESCCn1cc([C@H](C)C2CCCCC2)c(N)n1
InChIInChI=1S/C13H23N3/c1-3-16-9-12(13(14)15-16)10(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,14,15)/t10-/m1/s1
InChIKeyTWVCGXIAMVKQDC-SNVBAGLBSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 84107341
4-Cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine
CID 118969807
1-(2,2-Difluoroethyl)-4-octan-2-ylpyrazole
CID 126500106
4-Octan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 156254736
3-Fluoro-1-methyl-4-octan-2-ylpyrazole
CID 169567347
4-[1-(Cyclohexen-1-yl)ethyl]-1-methylpyrazole
CID 60158586
1-(1-Propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754448
1-(1-Ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754656
1-(1-Propylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758191
1-(1-Ethylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759617
3-[2-Fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine
CID 103023172
2-Fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103023194

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine?
The IUPAC name of 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine (CID 54337901) is 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine.
What is the SMILES notation for 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine?
The canonical SMILES for 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine is CCn1cc([C@H](C)C2CCCCC2)c(N)n1.
What is the InChIKey of 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine?
The InChIKey is TWVCGXIAMVKQDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-16-9-12(13(14)15-16)10(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,14,15)/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine?
4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclohexylethyl]-1-ethylpyrazol-3-amine is sourced from PubChem (CID 54337901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).