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

C16H18N6O2 — CID 131941993

IUPACN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)CCc1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-21-12(7-8-19-21)4-6-16(23)20-14-9-13(3-5-15(14)24-2)22-10-17-18-11-22/h3,5,7-11H,4,6H2,1-2H3,(H,20,23)
InChIKeyUCWBDLNAVPNREY-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.58
Rot. Bonds6

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

N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 131941993) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID131941993
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)CCc1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-21-12(7-8-19-21)4-6-16(23)20-14-9-13(3-5-15(14)24-2)22-10-17-18-11-22/h3,5,7-11H,4,6H2,1-2H3,(H,20,23)
InChIKeyUCWBDLNAVPNREY-UHFFFAOYSA-N
XLogP1.58
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
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N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
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N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
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3-(2-methylpyrazol-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 131941993) is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide is COc1ccc(-n2cnnc2)cc1NC(=O)CCc1ccnn1C.
What is the InChIKey of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is UCWBDLNAVPNREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21-12(7-8-19-21)4-6-16(23)20-14-9-13(3-5-15(14)24-2)22-10-17-18-11-22/h3,5,7-11H,4,6H2,1-2H3,(H,20,23).
What are the key properties of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 131941993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).