1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one

C14H16ClN3O — CID 105130900

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCc1cccnc1
InChIInChI=1S/C14H16ClN3O/c1-2-8-18-14(12(15)10-17-18)13(19)6-5-11-4-3-7-16-9-11/h3-4,7,9-10H,2,5-6,8H2,1H3
InChIKeyPRUMNYDMCNWGED-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one

1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105130900) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID105130900
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCc1cccnc1
InChIInChI=1S/C14H16ClN3O/c1-2-8-18-14(12(15)10-17-18)13(19)6-5-11-4-3-7-16-9-11/h3-4,7,9-10H,2,5-6,8H2,1H3
InChIKeyPRUMNYDMCNWGED-UHFFFAOYSA-N
XLogP3.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105082099
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105184165
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
CID 114669598
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-one
CID 105135461
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one (CID 105130900) is 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one is CCCn1ncc(Cl)c1C(=O)CCc1cccnc1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is PRUMNYDMCNWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-8-18-14(12(15)10-17-18)13(19)6-5-11-4-3-7-16-9-11/h3-4,7,9-10H,2,5-6,8H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one?
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 277.75 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105130900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).