N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

C16H15N9O — CID 19269125

IUPACN-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)n1
InChIInChI=1S/C16H15N9O/c1-23-9-8-14(20-23)17-16(26)13-7-10-24(19-13)11-25-21-15(18-22-25)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,20,26)
InChIKeyGCTMWMLXQNGNBF-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.03
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19269125) has the molecular formula C16H15N9O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID19269125
Molecular FormulaC16H15N9O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)n1
InChIInChI=1S/C16H15N9O/c1-23-9-8-14(20-23)17-16(26)13-7-10-24(19-13)11-25-21-15(18-22-25)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,20,26)
InChIKeyGCTMWMLXQNGNBF-UHFFFAOYSA-N
XLogP1.03
TPSA108.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268923
N-(3,4-difluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867261
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
1-[(5-phenyltetrazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19268917
N-(4-nitrophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268913
1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 4775206
N-(1-adamantyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268926
1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19269179
N-[2-(difluoromethoxy)-4-methylphenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269050
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268919
ethyl 5-acetyl-4-methyl-2-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19268965

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (CID 19269125) is N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is Cn1ccc(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is GCTMWMLXQNGNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O/c1-23-9-8-14(20-23)17-16(26)13-7-10-24(19-13)11-25-21-15(18-22-25)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,20,26).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19269125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).