2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine

C17H31N3 — CID 83138326

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1ccn(C2CCCC2)n1)C(C)(C)C
InChIInChI=1S/C17H31N3/c1-5-18-13-14(17(2,3)4)12-15-10-11-20(19-15)16-8-6-7-9-16/h10-11,14,16,18H,5-9,12-13H2,1-4H3
InChIKeyPTBIPJBLQITIIK-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds6

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine

2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 83138326) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID83138326
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1ccn(C2CCCC2)n1)C(C)(C)C
InChIInChI=1S/C17H31N3/c1-5-18-13-14(17(2,3)4)12-15-10-11-20(19-15)16-8-6-7-9-16/h10-11,14,16,18H,5-9,12-13H2,1-4H3
InChIKeyPTBIPJBLQITIIK-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine (CID 83138326) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine is CCNCC(Cc1ccn(C2CCCC2)n1)C(C)(C)C.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is PTBIPJBLQITIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-18-13-14(17(2,3)4)12-15-10-11-20(19-15)16-8-6-7-9-16/h10-11,14,16,18H,5-9,12-13H2,1-4H3.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 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)methyl]-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83138326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).