N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

C15H17N7O — CID 75490647

IUPACN-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)n1
InChIInChI=1S/C15H17N7O/c1-10(2)22-19-14(17-20-22)11-4-6-12(7-5-11)15(23)16-13-8-9-21(3)18-13/h4-10H,1-3H3,(H,16,18,23)
InChIKeyCEDGFTZPZDYNPO-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.91
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 75490647) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID75490647
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)n1
InChIInChI=1S/C15H17N7O/c1-10(2)22-19-14(17-20-22)11-4-6-12(7-5-11)15(23)16-13-8-9-21(3)18-13/h4-10H,1-3H3,(H,16,18,23)
InChIKeyCEDGFTZPZDYNPO-UHFFFAOYSA-N
XLogP1.91
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152749
N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269125
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
CID 71707786
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 134026280
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 98886141

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 75490647) is N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is CEDGFTZPZDYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10(2)22-19-14(17-20-22)11-4-6-12(7-5-11)15(23)16-13-8-9-21(3)18-13/h4-10H,1-3H3,(H,16,18,23).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 311.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 75490647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).