1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine

C14H18ClN3 — CID 54951481

IUPAC1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
SMILESCCC(NCCn1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-2-14(12-4-6-13(15)7-5-12)16-9-11-18-10-3-8-17-18/h3-8,10,14,16H,2,9,11H2,1H3
InChIKeyOQOLHARPLHPTGA-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine

1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine (PubChem CID 54951481) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
PubChem CID54951481
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
SMILESCCC(NCCn1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-2-14(12-4-6-13(15)7-5-12)16-9-11-18-10-3-8-17-18/h3-8,10,14,16H,2,9,11H2,1H3
InChIKeyOQOLHARPLHPTGA-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 79003234
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 112583054
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine (CID 54951481) is 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine is CCC(NCCn1cccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The InChIKey is OQOLHARPLHPTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-14(12-4-6-13(15)7-5-12)16-9-11-18-10-3-8-17-18/h3-8,10,14,16H,2,9,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine is sourced from PubChem (CID 54951481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).