N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine

C13H24ClN3 — CID 62567349

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H24ClN3/c1-5-6-7-8-15-9-10(2)17-12(4)13(14)11(3)16-17/h10,15H,5-9H2,1-4H3
InChIKeyUHCMWZJIDDMRTB-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.49
Rot. Bonds7

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

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine (PubChem CID 62567349) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine
PubChem CID62567349
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H24ClN3/c1-5-6-7-8-15-9-10(2)17-12(4)13(14)11(3)16-17/h10,15H,5-9H2,1-4H3
InChIKeyUHCMWZJIDDMRTB-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.49
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 N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine (CID 62567349) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine is CCCCCNCC(C)n1nc(C)c(Cl)c1C.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine?
The InChIKey is UHCMWZJIDDMRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3/c1-5-6-7-8-15-9-10(2)17-12(4)13(14)11(3)16-17/h10,15H,5-9H2,1-4H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine has a molecular weight of 257.81 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine is sourced from PubChem (CID 62567349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).