1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine

C13H23N3O — CID 64779791

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-17-10-11(14)9-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,14H2,1H3
InChIKeyBKJNUTAZUQQUED-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.90
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine (PubChem CID 64779791) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
PubChem CID64779791
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-17-10-11(14)9-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,14H2,1H3
InChIKeyBKJNUTAZUQQUED-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719628
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
3-(3-bromo-4-methoxybutyl)-1-cyclopentylpyrazole
CID 64780038
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine (CID 64779791) is 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine is COCC(N)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine?
The InChIKey is BKJNUTAZUQQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-17-10-11(14)9-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,14H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 64779791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).