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

C19H16N6O — CID 119067217

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCc1cn[nH]c1-c1ccccc1)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C19H16N6O/c26-19(15-8-4-7-14(9-15)18-21-12-23-25-18)20-10-16-11-22-24-17(16)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,26)(H,22,24)(H,21,23,25)
InChIKeyNIRADHHUSBKSFE-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.79
Rot. Bonds5

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

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 119067217) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID119067217
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCc1cn[nH]c1-c1ccccc1)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C19H16N6O/c26-19(15-8-4-7-14(9-15)18-21-12-23-25-18)20-10-16-11-22-24-17(16)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,26)(H,22,24)(H,21,23,25)
InChIKeyNIRADHHUSBKSFE-UHFFFAOYSA-N
XLogP2.79
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166326947
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119074936
N-[(2S)-2-anilinopropyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97332300
N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 110001278
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 75438077
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97252587
N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166192461
3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
CID 167799941
6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide
CID 121498985
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]benzamide
CID 146132046
3-iodo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60983434
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 119067217) is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCc1cn[nH]c1-c1ccccc1)c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is NIRADHHUSBKSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(15-8-4-7-14(9-15)18-21-12-23-25-18)20-10-16-11-22-24-17(16)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,26)(H,22,24)(H,21,23,25).
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 119067217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).