3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide

C17H13ClF2N4O — CID 163812350

IUPAC3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cc(F)c(Cl)c(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C17H13ClF2N4O/c18-17-14(19)7-11(8-15(17)20)1-2-16(25)23-12-9-22-24(10-12)13-3-5-21-6-4-13/h3-10H,1-2H2,(H,23,25)
InChIKeyNOJRTMKPGSIRGO-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.77
Rot. Bonds5

About 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide

3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide (PubChem CID 163812350) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide
PubChem CID163812350
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cc(F)c(Cl)c(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C17H13ClF2N4O/c18-17-14(19)7-11(8-15(17)20)1-2-16(25)23-12-9-22-24(10-12)13-3-5-21-6-4-13/h3-10H,1-2H2,(H,23,25)
InChIKeyNOJRTMKPGSIRGO-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472224
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide (CID 163812350) is 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide is O=C(CCc1cc(F)c(Cl)c(F)c1)Nc1cnn(-c2ccncc2)c1.
What is the InChIKey of 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide?
The InChIKey is NOJRTMKPGSIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c18-17-14(19)7-11(8-15(17)20)1-2-16(25)23-12-9-22-24(10-12)13-3-5-21-6-4-13/h3-10H,1-2H2,(H,23,25).
What are the key properties of 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide?
3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide has a molecular weight of 362.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-difluorophenyl)-N-(1-pyridin-4-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 163812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).