6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine

C18H33N3 — CID 64777007

IUPAC6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCCc1ccn(C2CCCC2)n1)C(C)C
InChIInChI=1S/C18H33N3/c1-4-13-19-18(15(2)3)11-7-8-16-12-14-21(20-16)17-9-5-6-10-17/h12,14-15,17-19H,4-11,13H2,1-3H3
InChIKeyWVTKUYDAZBPXNJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.35
Rot. Bonds9

About 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine

6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine (PubChem CID 64777007) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
PubChem CID64777007
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCCc1ccn(C2CCCC2)n1)C(C)C
InChIInChI=1S/C18H33N3/c1-4-13-19-18(15(2)3)11-7-8-16-12-14-21(20-16)17-9-5-6-10-17/h12,14-15,17-19H,4-11,13H2,1-3H3
InChIKeyWVTKUYDAZBPXNJ-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

3-(4-chloroheptyl)-1-cyclohexylpyrazole
CID 64778760
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine?
The IUPAC name of 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine (CID 64777007) is 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine is CCCNC(CCCc1ccn(C2CCCC2)n1)C(C)C.
What is the InChIKey of 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine?
The InChIKey is WVTKUYDAZBPXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-13-19-18(15(2)3)11-7-8-16-12-14-21(20-16)17-9-5-6-10-17/h12,14-15,17-19H,4-11,13H2,1-3H3.
What are the key properties of 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine?
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine has a molecular weight of 291.48 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 64777007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).