2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine

C17H29N3 — CID 102641074

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-5-17(4,13-18-14(2)3)12-15-10-11-20(19-15)16-8-6-7-9-16/h5,10-11,14,16,18H,1,6-9,12-13H2,2-4H3
InChIKeyXSYRTDFINXRCPQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.73
Rot. Bonds7

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine

2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102641074) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID102641074
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-5-17(4,13-18-14(2)3)12-15-10-11-20(19-15)16-8-6-7-9-16/h5,10-11,14,16,18H,1,6-9,12-13H2,2-4H3
InChIKeyXSYRTDFINXRCPQ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
CID 79447968
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81026786
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
CID 64784289
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 64785741
N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83150502

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine (CID 102641074) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is XSYRTDFINXRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-17(4,13-18-14(2)3)12-15-10-11-20(19-15)16-8-6-7-9-16/h5,10-11,14,16,18H,1,6-9,12-13H2,2-4H3.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.73, 7 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]-2-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102641074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).