4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C18H33N3 — CID 81026786

IUPAC4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H33N3/c1-15(2)14-19-11-10-18(3,4)13-16-9-12-21(20-16)17-7-5-6-8-17/h9,12,15,17,19H,5-8,10-11,13-14H2,1-4H3
InChIKeyVAOOZXKFOROMJE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.20
Rot. Bonds8

About 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81026786) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81026786
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H33N3/c1-15(2)14-19-11-10-18(3,4)13-16-9-12-21(20-16)17-7-5-6-8-17/h9,12,15,17,19H,5-8,10-11,13-14H2,1-4H3
InChIKeyVAOOZXKFOROMJE-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
CID 79447968
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777209
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641074
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
CID 64784289

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 81026786) is 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is VAOOZXKFOROMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15(2)14-19-11-10-18(3,4)13-16-9-12-21(20-16)17-7-5-6-8-17/h9,12,15,17,19H,5-8,10-11,13-14H2,1-4H3.
What are the key properties of 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81026786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).