5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide

C12H10ClN7O — CID 32609786

IUPAC5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cn1
InChIInChI=1S/C12H10ClN7O/c1-19-6-9(5-15-19)16-12(21)10-4-8(13)2-3-11(10)20-7-14-17-18-20/h2-7H,1H3,(H,16,21)
InChIKeyPRAYTYQRQUBEPD-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.30
Rot. Bonds3

About 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide

5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 32609786) has the molecular formula C12H10ClN7O and a molecular weight of 303.71 g/mol. Its IUPAC name is 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID32609786
Molecular FormulaC12H10ClN7O
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cn1
InChIInChI=1S/C12H10ClN7O/c1-19-6-9(5-15-19)16-12(21)10-4-8(13)2-3-11(10)20-7-14-17-18-20/h2-7H,1H3,(H,16,21)
InChIKeyPRAYTYQRQUBEPD-UHFFFAOYSA-N
XLogP1.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
CID 42571607
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
5-chloro-N-(2-methylpiperidin-3-yl)-2-(tetrazol-1-yl)benzamide
CID 120576545
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 39918772
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119509965
(2S)-2-[[2-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide (CID 32609786) is 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide is Cn1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cn1.
What is the InChIKey of 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is PRAYTYQRQUBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN7O/c1-19-6-9(5-15-19)16-12(21)10-4-8(13)2-3-11(10)20-7-14-17-18-20/h2-7H,1H3,(H,16,21).
What are the key properties of 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide?
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 303.71 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 32609786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).