N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide

C19H20N4O — CID 24543238

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1cccnc1
InChIInChI=1S/C19H20N4O/c1-14-19(15(2)23(22-14)17-8-4-3-5-9-17)21-18(24)11-10-16-7-6-12-20-13-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)
InChIKeyHGBQKWKVYJDGOT-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.46
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide (PubChem CID 24543238) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
PubChem CID24543238
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1cccnc1
InChIInChI=1S/C19H20N4O/c1-14-19(15(2)23(22-14)17-8-4-3-5-9-17)21-18(24)11-10-16-7-6-12-20-13-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)
InChIKeyHGBQKWKVYJDGOT-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 24816700
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71942657
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
CID 39912340
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] butanoate
CID 7796847
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide (CID 24543238) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1cccnc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is HGBQKWKVYJDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-19(15(2)23(22-14)17-8-4-3-5-9-17)21-18(24)11-10-16-7-6-12-20-13-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 320.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 24543238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).