2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine

C14H25N3 — CID 64779672

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3/c1-3-14(2,11-15)10-12-8-9-17(16-12)13-6-4-5-7-13/h8-9,13H,3-7,10-11,15H2,1-2H3
InChIKeyGVRIDSXKMRXDRE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds5

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine

2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine (PubChem CID 64779672) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
PubChem CID64779672
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3/c1-3-14(2,11-15)10-12-8-9-17(16-12)13-6-4-5-7-13/h8-9,13H,3-7,10-11,15H2,1-2H3
InChIKeyGVRIDSXKMRXDRE-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
CID 64784289
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 64801183
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
CID 64783095
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylbutan-2-amine
CID 64785357

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine (CID 64779672) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is GVRIDSXKMRXDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-14(2,11-15)10-12-8-9-17(16-12)13-6-4-5-7-13/h8-9,13H,3-7,10-11,15H2,1-2H3.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.92, 5 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-methylbutan-1-amine is sourced from PubChem (CID 64779672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).