1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine

C17H31N3 — CID 64778794

IUPAC1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H31N3/c1-3-8-15(18-12-4-2)14-16-11-13-20(19-16)17-9-6-5-7-10-17/h11,13,15,17-18H,3-10,12,14H2,1-2H3
InChIKeyOZDSMGGVSMSGEQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.10
Rot. Bonds8

About 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine (PubChem CID 64778794) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
PubChem CID64778794
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H31N3/c1-3-8-15(18-12-4-2)14-16-11-13-20(19-16)17-9-6-5-7-10-17/h11,13,15,17-18H,3-10,12,14H2,1-2H3
InChIKeyOZDSMGGVSMSGEQ-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine (CID 64778794) is 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine is CCCNC(CCC)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is OZDSMGGVSMSGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-8-15(18-12-4-2)14-16-11-13-20(19-16)17-9-6-5-7-10-17/h11,13,15,17-18H,3-10,12,14H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 64778794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).