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

C16H18N6O2 — CID 56738654

IUPACN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCN(Cc1nncn1C)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C16H18N6O2/c1-21(9-15-20-17-11-22(15)2)16(23)14-8-12(18-19-14)10-24-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyAIEQHTBEXLSWAA-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.39
Rot. Bonds6

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

N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56738654) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID56738654
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCN(Cc1nncn1C)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C16H18N6O2/c1-21(9-15-20-17-11-22(15)2)16(23)14-8-12(18-19-14)10-24-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyAIEQHTBEXLSWAA-UHFFFAOYSA-N
XLogP1.39
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 56738654) is N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CN(Cc1nncn1C)C(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is AIEQHTBEXLSWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21(9-15-20-17-11-22(15)2)16(23)14-8-12(18-19-14)10-24-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56738654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).