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

C18H33N3 — CID 64777028

IUPAC1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccn(C2CCCCC2)n1)CC(C)C
InChIInChI=1S/C18H33N3/c1-4-11-19-17(13-15(2)3)14-16-10-12-21(20-16)18-8-6-5-7-9-18/h10,12,15,17-19H,4-9,11,13-14H2,1-3H3
InChIKeyHTAAMONFJAGDIJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.35
Rot. Bonds8

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

1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine (PubChem CID 64777028) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
PubChem CID64777028
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccn(C2CCCCC2)n1)CC(C)C
InChIInChI=1S/C18H33N3/c1-4-11-19-17(13-15(2)3)14-16-10-12-21(20-16)18-8-6-5-7-9-18/h10,12,15,17-19H,4-9,11,13-14H2,1-3H3
InChIKeyHTAAMONFJAGDIJ-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)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
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
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine (CID 64777028) is 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccn(C2CCCCC2)n1)CC(C)C.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is HTAAMONFJAGDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-11-19-17(13-15(2)3)14-16-10-12-21(20-16)18-8-6-5-7-9-18/h10,12,15,17-19H,4-9,11,13-14H2,1-3H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine?
1-(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 1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 64777028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).