N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide

C15H17N7O — CID 1460215

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H17N7O/c1-10-14(11(2)19-18-10)6-7-16-15(23)12-4-3-5-13(8-12)22-9-17-20-21-22/h3-5,8-9H,6-7H2,1-2H3,(H,16,23)(H,18,19)
InChIKeyUBDKSBWASQBPEK-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.97
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 1460215) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID1460215
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H17N7O/c1-10-14(11(2)19-18-10)6-7-16-15(23)12-4-3-5-13(8-12)22-9-17-20-21-22/h3-5,8-9H,6-7H2,1-2H3,(H,16,23)(H,18,19)
InChIKeyUBDKSBWASQBPEK-UHFFFAOYSA-N
XLogP0.97
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
CID 126440416
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 1460215) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide is Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is UBDKSBWASQBPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10-14(11(2)19-18-10)6-7-16-15(23)12-4-3-5-13(8-12)22-9-17-20-21-22/h3-5,8-9H,6-7H2,1-2H3,(H,16,23)(H,18,19).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 311.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 1460215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).