1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine

C17H29N3 — CID 104993917

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C(C)C1CC1
InChIInChI=1S/C17H29N3/c1-3-18-17(13(2)14-8-9-14)12-15-10-11-20(19-15)16-6-4-5-7-16/h10-11,13-14,16-18H,3-9,12H2,1-2H3
InChIKeyQKWYFLXHZBJIAK-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.56
Rot. Bonds7

About 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine (PubChem CID 104993917) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
PubChem CID104993917
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C(C)C1CC1
InChIInChI=1S/C17H29N3/c1-3-18-17(13(2)14-8-9-14)12-15-10-11-20(19-15)16-6-4-5-7-16/h10-11,13-14,16-18H,3-9,12H2,1-2H3
InChIKeyQKWYFLXHZBJIAK-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
[3-(1-cyclopentylpyrazol-3-yl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272726
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine (CID 104993917) is 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine is CCNC(Cc1ccn(C2CCCC2)n1)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine?
The InChIKey is QKWYFLXHZBJIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-18-17(13(2)14-8-9-14)12-15-10-11-20(19-15)16-6-4-5-7-16/h10-11,13-14,16-18H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.56, 7 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-cyclopropyl-N-ethylbutan-2-amine is sourced from PubChem (CID 104993917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).