1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine

C17H31N3 — CID 104993863

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine
SMILESCCCCC(CC)C(N)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H31N3/c1-3-5-8-14(4-2)17(18)13-15-11-12-20(19-15)16-9-6-7-10-16/h11-12,14,16-17H,3-10,13,18H2,1-2H3
InChIKeyADWOOJJSIBEREP-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.08
Rot. Bonds8

About 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine (PubChem CID 104993863) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine
PubChem CID104993863
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine
SMILESCCCCC(CC)C(N)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H31N3/c1-3-5-8-14(4-2)17(18)13-15-11-12-20(19-15)16-9-6-7-10-16/h11-12,14,16-17H,3-10,13,18H2,1-2H3
InChIKeyADWOOJJSIBEREP-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719628
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79960425
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine (CID 104993863) is 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine is CCCCC(CC)C(N)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine?
The InChIKey is ADWOOJJSIBEREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-5-8-14(4-2)17(18)13-15-11-12-20(19-15)16-9-6-7-10-16/h11-12,14,16-17H,3-10,13,18H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine is sourced from PubChem (CID 104993863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).