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

C16H23ClN4 — CID 105184165

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCCn1ncc(Cl)c1C(CCc1cccnc1)NCC
InChIInChI=1S/C16H23ClN4/c1-3-10-21-16(14(17)12-20-21)15(19-4-2)8-7-13-6-5-9-18-11-13/h5-6,9,11-12,15,19H,3-4,7-8,10H2,1-2H3
InChIKeyPDZQRHZGTYGIKY-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.62
Rot. Bonds8

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

1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105184165) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105184165
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCCn1ncc(Cl)c1C(CCc1cccnc1)NCC
InChIInChI=1S/C16H23ClN4/c1-3-10-21-16(14(17)12-20-21)15(19-4-2)8-7-13-6-5-9-18-11-13/h5-6,9,11-12,15,19H,3-4,7-8,10H2,1-2H3
InChIKeyPDZQRHZGTYGIKY-UHFFFAOYSA-N
XLogP3.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
[1-(4-bromo-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105336676
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105183226
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647095
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
1-(4-chloro-3-methoxyphenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105164610
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine (CID 105184165) is 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine is CCCn1ncc(Cl)c1C(CCc1cccnc1)NCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is PDZQRHZGTYGIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-3-10-21-16(14(17)12-20-21)15(19-4-2)8-7-13-6-5-9-18-11-13/h5-6,9,11-12,15,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105184165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).