2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine

C14H26ClN3 — CID 83044783

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C14H26ClN3/c1-6-7-13(9-16-8-10(2)3)18-12(5)14(15)11(4)17-18/h10,13,16H,6-9H2,1-5H3
InChIKeyNTCIWXPYSLPCGV-UHFFFAOYSA-N
MW271.84 g/mol
LogP3.74
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 83044783) has the molecular formula C14H26ClN3 and a molecular weight of 271.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID83044783
Molecular FormulaC14H26ClN3
Molecular Weight271.84 g/mol
Exact Mass271.18
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C14H26ClN3/c1-6-7-13(9-16-8-10(2)3)18-12(5)14(15)11(4)17-18/h10,13,16H,6-9H2,1-5H3
InChIKeyNTCIWXPYSLPCGV-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 83044783) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)n1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is NTCIWXPYSLPCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3/c1-6-7-13(9-16-8-10(2)3)18-12(5)14(15)11(4)17-18/h10,13,16H,6-9H2,1-5H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 271.84 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 83044783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).