3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide

C16H18N6O2 — CID 29257652

IUPAC3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@H](C)c2nncn2C)[nH]n1
InChIInChI=1S/C16H18N6O2/c1-10(15-21-17-9-22(15)2)18-16(23)13-8-12(19-20-13)11-6-4-5-7-14(11)24-3/h4-10H,1-3H3,(H,18,23)(H,19,20)/t10-/m1/s1
InChIKeyXJAGFSMPVSPLSN-SNVBAGLBSA-N
MW326.36 g/mol
LogP1.70
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 29257652) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID29257652
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@H](C)c2nncn2C)[nH]n1
InChIInChI=1S/C16H18N6O2/c1-10(15-21-17-9-22(15)2)18-16(23)13-8-12(19-20-13)11-6-4-5-7-14(11)24-3/h4-10H,1-3H3,(H,18,23)(H,19,20)/t10-/m1/s1
InChIKeyXJAGFSMPVSPLSN-SNVBAGLBSA-N
XLogP1.70
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
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2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
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N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
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3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
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3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 29257652) is 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)N[C@H](C)c2nncn2C)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XJAGFSMPVSPLSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(15-21-17-9-22(15)2)18-16(23)13-8-12(19-20-13)11-6-4-5-7-14(11)24-3/h4-10H,1-3H3,(H,18,23)(H,19,20)/t10-/m1/s1.
What are the key properties of 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 29257652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).