2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine

C16H27N3 — CID 65420196

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C1CC1C
InChIInChI=1S/C16H27N3/c1-3-17-16(15-10-12(15)2)11-13-8-9-19(18-13)14-6-4-5-7-14/h8-9,12,14-17H,3-7,10-11H2,1-2H3
InChIKeyCDIMCPBIIVABSZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.17
Rot. Bonds6

About 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine (PubChem CID 65420196) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
PubChem CID65420196
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C1CC1C
InChIInChI=1S/C16H27N3/c1-3-17-16(15-10-12(15)2)11-13-8-9-19(18-13)14-6-4-5-7-14/h8-9,12,14-17H,3-7,10-11H2,1-2H3
InChIKeyCDIMCPBIIVABSZ-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107189365
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-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79961112
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 64779215
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine (CID 65420196) is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine is CCNC(Cc1ccn(C2CCCC2)n1)C1CC1C.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is CDIMCPBIIVABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-17-16(15-10-12(15)2)11-13-8-9-19(18-13)14-6-4-5-7-14/h8-9,12,14-17H,3-7,10-11H2,1-2H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 65420196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).