5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine

C10H18ClN3 — CID 107319937

IUPAC5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
SMILESClCCCCCNCCn1cccn1
InChIInChI=1S/C10H18ClN3/c11-5-2-1-3-6-12-8-10-14-9-4-7-13-14/h4,7,9,12H,1-3,5-6,8,10H2
InChIKeyUHWZFDPDZGCLCW-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.88
Rot. Bonds8

About 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine

5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine (PubChem CID 107319937) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
PubChem CID107319937
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
SMILESClCCCCCNCCn1cccn1
InChIInChI=1S/C10H18ClN3/c11-5-2-1-3-6-12-8-10-14-9-4-7-13-14/h4,7,9,12H,1-3,5-6,8,10H2
InChIKeyUHWZFDPDZGCLCW-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
CID 107845447
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-pyrazol-1-ylethanamine
CID 114757545
4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
CID 106139974
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 115363430
N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 112684820
3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol
CID 106310344
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine (CID 107319937) is 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine is ClCCCCCNCCn1cccn1.
What is the InChIKey of 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine?
The InChIKey is UHWZFDPDZGCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c11-5-2-1-3-6-12-8-10-14-9-4-7-13-14/h4,7,9,12H,1-3,5-6,8,10H2.
What are the key properties of 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine?
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine is sourced from PubChem (CID 107319937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).