3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide

C16H14ClN5O — CID 166581481

IUPAC3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cc(-c2ccnnc2)[nH]n1
InChIInChI=1S/C16H14ClN5O/c17-13-4-1-11(2-5-13)3-6-16(23)20-15-9-14(21-22-15)12-7-8-18-19-10-12/h1-2,4-5,7-10H,3,6H2,(H2,20,21,22,23)
InChIKeyUKULEDUWOOFZRF-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.09
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide

3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 166581481) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID166581481
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cc(-c2ccnnc2)[nH]n1
InChIInChI=1S/C16H14ClN5O/c17-13-4-1-11(2-5-13)3-6-16(23)20-15-9-14(21-22-15)12-7-8-18-19-10-12/h1-2,4-5,7-10H,3,6H2,(H2,20,21,22,23)
InChIKeyUKULEDUWOOFZRF-UHFFFAOYSA-N
XLogP3.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581259
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide
CID 166581235
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
3-(4-chlorophenyl)-1-(3-pyridazin-4-yl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-yl)propan-1-one
CID 168678856
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
3-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethyl-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 166581204
4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 75358528
3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47037109
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide (CID 166581481) is 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide is O=C(CCc1ccc(Cl)cc1)Nc1cc(-c2ccnnc2)[nH]n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is UKULEDUWOOFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-13-4-1-11(2-5-13)3-6-16(23)20-15-9-14(21-22-15)12-7-8-18-19-10-12/h1-2,4-5,7-10H,3,6H2,(H2,20,21,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 327.78 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 166581481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).