N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide

C15H20N4O — CID 134695978

IUPACN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCCc1nn(C)c(NC(=O)CCc2ccncc2)c1C
InChIInChI=1S/C15H20N4O/c1-4-13-11(2)15(19(3)18-13)17-14(20)6-5-12-7-9-16-10-8-12/h7-10H,4-6H2,1-3H3,(H,17,20)
InChIKeyBPPKALNQMCVYDE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds5

About N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide

N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide (PubChem CID 134695978) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
PubChem CID134695978
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCCc1nn(C)c(NC(=O)CCc2ccncc2)c1C
InChIInChI=1S/C15H20N4O/c1-4-13-11(2)15(19(3)18-13)17-14(20)6-5-12-7-9-16-10-8-12/h7-10H,4-6H2,1-3H3,(H,17,20)
InChIKeyBPPKALNQMCVYDE-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea
CID 118793553
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-piperidin-1-ylpropanamide
CID 134711943
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate
CID 112535519
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
CID 134702201
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
CID 82133864

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide (CID 134695978) is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide is CCc1nn(C)c(NC(=O)CCc2ccncc2)c1C.
What is the InChIKey of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is BPPKALNQMCVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-13-11(2)15(19(3)18-13)17-14(20)6-5-12-7-9-16-10-8-12/h7-10H,4-6H2,1-3H3,(H,17,20).
What are the key properties of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide?
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 134695978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).