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

C16H18N6O — CID 87041917

IUPAC3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1cnn(CCC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1
InChIInChI=1S/C16H18N6O/c1-11-9-17-22(10-11)7-6-15(23)19-14-5-3-4-13(8-14)16-18-12(2)20-21-16/h3-5,8-10H,6-7H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyUFLPDTWJNUQSAZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.31
Rot. Bonds5

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

3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 87041917) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID87041917
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1cnn(CCC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1
InChIInChI=1S/C16H18N6O/c1-11-9-17-22(10-11)7-6-15(23)19-14-5-3-4-13(8-14)16-18-12(2)20-21-16/h3-5,8-10H,6-7H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyUFLPDTWJNUQSAZ-UHFFFAOYSA-N
XLogP2.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
4-chloro-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 167807626
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55825920
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 87041917) is 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is Cc1cnn(CCC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is UFLPDTWJNUQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-9-17-22(10-11)7-6-15(23)19-14-5-3-4-13(8-14)16-18-12(2)20-21-16/h3-5,8-10H,6-7H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 87041917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).