3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine

C16H29N3 — CID 79224992

IUPAC3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nn(C2CCCC2)c(C)c1CCCNC(C)C
InChIInChI=1S/C16H29N3/c1-12(2)17-11-7-10-16-13(3)18-19(14(16)4)15-8-5-6-9-15/h12,15,17H,5-11H2,1-4H3
InChIKeyNMJRTWZGTSIPMV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds6

About 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine

3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79224992) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79224992
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nn(C2CCCC2)c(C)c1CCCNC(C)C
InChIInChI=1S/C16H29N3/c1-12(2)17-11-7-10-16-13(3)18-19(14(16)4)15-8-5-6-9-15/h12,15,17H,5-11H2,1-4H3
InChIKeyNMJRTWZGTSIPMV-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine (CID 79224992) is 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine is Cc1nn(C2CCCC2)c(C)c1CCCNC(C)C.
What is the InChIKey of 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NMJRTWZGTSIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)17-11-7-10-16-13(3)18-19(14(16)4)15-8-5-6-9-15/h12,15,17H,5-11H2,1-4H3.
What are the key properties of 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79224992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).