(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine

C13H21N3 — CID 103392338

IUPAC(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccn(C2CCCCC2)n1)CN
InChIInChI=1S/C13H21N3/c1-11(10-14)9-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-9,13H,2-6,10,14H2,1H3/b11-9-
InChIKeyHVYVVTRCCSMNHE-LUAWRHEFSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds3

About (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine

(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine (PubChem CID 103392338) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine
PubChem CID103392338
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccn(C2CCCCC2)n1)CN
InChIInChI=1S/C13H21N3/c1-11(10-14)9-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-9,13H,2-6,10,14H2,1H3/b11-9-
InChIKeyHVYVVTRCCSMNHE-LUAWRHEFSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
CID 79590236
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
CID 79598946
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine (CID 103392338) is (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine is C/C(=C/c1ccn(C2CCCCC2)n1)CN.
What is the InChIKey of (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
The InChIKey is HVYVVTRCCSMNHE-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(10-14)9-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-9,13H,2-6,10,14H2,1H3/b11-9-.
What are the key properties of (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 103392338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).