2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

C16H18N6O — CID 56787187

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccc(-c3ncn[nH]3)cc2)n1
InChIInChI=1S/C16H18N6O/c1-10-8-11(2)22(21-10)12(3)16(23)19-14-6-4-13(5-7-14)15-17-9-18-20-15/h4-9,12H,1-3H3,(H,19,23)(H,17,18,20)
InChIKeyWHKHKRNWDSQVFP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.48
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (PubChem CID 56787187) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
PubChem CID56787187
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccc(-c3ncn[nH]3)cc2)n1
InChIInChI=1S/C16H18N6O/c1-10-8-11(2)22(21-10)12(3)16(23)19-14-6-4-13(5-7-14)15-17-9-18-20-15/h4-9,12H,1-3H3,(H,19,23)(H,17,18,20)
InChIKeyWHKHKRNWDSQVFP-UHFFFAOYSA-N
XLogP2.48
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 129381815
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539324
(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627239
2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
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4-methylsulfanyl-2-pyrrol-1-yl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121238787
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 71987142
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (CID 56787187) is 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is Cc1cc(C)n(C(C)C(=O)Nc2ccc(-c3ncn[nH]3)cc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The InChIKey is WHKHKRNWDSQVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10-8-11(2)22(21-10)12(3)16(23)19-14-6-4-13(5-7-14)15-17-9-18-20-15/h4-9,12H,1-3H3,(H,19,23)(H,17,18,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 56787187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).