3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine

C17H24ClN3 — CID 114664429

IUPAC3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCCn1ncc(Cl)c1CCC(NCC)c1ccccc1
InChIInChI=1S/C17H24ClN3/c1-3-12-21-17(15(18)13-20-21)11-10-16(19-4-2)14-8-6-5-7-9-14/h5-9,13,16,19H,3-4,10-12H2,1-2H3
InChIKeyRDGXATYZZYQHOL-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.23
Rot. Bonds8

About 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine

3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine (PubChem CID 114664429) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
PubChem CID114664429
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCCn1ncc(Cl)c1CCC(NCC)c1ccccc1
InChIInChI=1S/C17H24ClN3/c1-3-12-21-17(15(18)13-20-21)11-10-16(19-4-2)14-8-6-5-7-9-14/h5-9,13,16,19H,3-4,10-12H2,1-2H3
InChIKeyRDGXATYZZYQHOL-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 114664422
N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114664432
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105184165
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol
CID 114665024
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182279
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-4-methylpentan-3-amine
CID 114664314

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine (CID 114664429) is 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine is CCCn1ncc(Cl)c1CCC(NCC)c1ccccc1.
What is the InChIKey of 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is RDGXATYZZYQHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-12-21-17(15(18)13-20-21)11-10-16(19-4-2)14-8-6-5-7-9-14/h5-9,13,16,19H,3-4,10-12H2,1-2H3.
What are the key properties of 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine?
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 114664429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).