N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide

C13H14Cl2N4O — CID 71987142

IUPACN-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2cc(Cl)c(Cl)cn2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-7-4-8(2)19(18-7)9(3)13(20)17-12-5-10(14)11(15)6-16-12/h4-6,9H,1-3H3,(H,16,17,20)
InChIKeyCBROWRXIZHGQKO-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.40
Rot. Bonds3

About N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide

N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 71987142) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID71987142
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2cc(Cl)c(Cl)cn2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-7-4-8(2)19(18-7)9(3)13(20)17-12-5-10(14)11(15)6-16-12/h4-6,9H,1-3H3,(H,16,17,20)
InChIKeyCBROWRXIZHGQKO-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 56787187
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
CID 75391584
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446024
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129337211
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
(3R)-N-[3-chloro-4-[[(2S)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]amino]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95349759

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 71987142) is N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(C(C)C(=O)Nc2cc(Cl)c(Cl)cn2)n1.
What is the InChIKey of N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is CBROWRXIZHGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-7-4-8(2)19(18-7)9(3)13(20)17-12-5-10(14)11(15)6-16-12/h4-6,9H,1-3H3,(H,16,17,20).
What are the key properties of N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 313.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 71987142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).