5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine

C18H33N3 — CID 64778196

IUPAC5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H33N3/c1-4-11-19-16(3)13-15(2)14-17-10-12-21(20-17)18-8-6-5-7-9-18/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3
InChIKeyANLPXJHTAIIFOR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.35
Rot. Bonds8

About 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine

5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine (PubChem CID 64778196) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
PubChem CID64778196
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H33N3/c1-4-11-19-16(3)13-15(2)14-17-10-12-21(20-17)18-8-6-5-7-9-18/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3
InChIKeyANLPXJHTAIIFOR-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine (CID 64778196) is 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)CC(C)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is ANLPXJHTAIIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-11-19-16(3)13-15(2)14-17-10-12-21(20-17)18-8-6-5-7-9-18/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3.
What are the key properties of 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 64778196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).