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

C14H25N3 — CID 64779577

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3/c1-3-12(15-4-2)11-13-9-10-17(16-13)14-7-5-6-8-14/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyJEPNLHDRFSEOQV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.93
Rot. Bonds6

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

1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine (PubChem CID 64779577) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
PubChem CID64779577
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3/c1-3-12(15-4-2)11-13-9-10-17(16-13)14-7-5-6-8-14/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyJEPNLHDRFSEOQV-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.93
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-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
CID 64785182

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine (CID 64779577) is 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine is CCNC(CC)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine?
The InChIKey is JEPNLHDRFSEOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12(15-4-2)11-13-9-10-17(16-13)14-7-5-6-8-14/h9-10,12,14-15H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.93, 6 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)-N-ethylbutan-2-amine is sourced from PubChem (CID 64779577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).