1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide

C16H14N8O — CID 38136593

IUPAC1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(-n3cnnn3)c2)c1-n1cccc1
InChIInChI=1S/C16H14N8O/c1-22-16(23-7-2-3-8-23)14(10-18-22)15(25)19-12-5-4-6-13(9-12)24-11-17-20-21-24/h2-11H,1H3,(H,19,25)
InChIKeyMLTRQISGUZGFJX-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.44
Rot. Bonds4

About 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide

1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 38136593) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID38136593
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(-n3cnnn3)c2)c1-n1cccc1
InChIInChI=1S/C16H14N8O/c1-22-16(23-7-2-3-8-23)14(10-18-22)15(25)19-12-5-4-6-13(9-12)24-11-17-20-21-24/h2-11H,1H3,(H,19,25)
InChIKeyMLTRQISGUZGFJX-UHFFFAOYSA-N
XLogP1.44
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33159734
N-(4-acetylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053385
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38005588
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38024054
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
methyl 2-chloro-5-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]benzoate
CID 34163624

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide (CID 38136593) is 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccc(-n3cnnn3)c2)c1-n1cccc1.
What is the InChIKey of 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is MLTRQISGUZGFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-22-16(23-7-2-3-8-23)14(10-18-22)15(25)19-12-5-4-6-13(9-12)24-11-17-20-21-24/h2-11H,1H3,(H,19,25).
What are the key properties of 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 38136593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).