5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine

C21H17N7O — CID 10833827

IUPAC5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C21H17N7O/c1-29-20-13-16(28-19(23-20)10-11-22-28)12-14-6-8-15(9-7-14)17-4-2-3-5-18(17)21-24-26-27-25-21/h2-11,13H,12H2,1H3,(H,24,25,26,27)
InChIKeyXMMSEHCGHANQNH-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.18
Rot. Bonds5

About 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine

5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 10833827) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID10833827
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C21H17N7O/c1-29-20-13-16(28-19(23-20)10-11-22-28)12-14-6-8-15(9-7-14)17-4-2-3-5-18(17)21-24-26-27-25-21/h2-11,13H,12H2,1H3,(H,24,25,26,27)
InChIKeyXMMSEHCGHANQNH-UHFFFAOYSA-N
XLogP3.18
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine
CID 19975849
2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-1,2,4-triazole-5-thione
CID 19882498
2-cyclopropyl-5-methoxy-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 172728002
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
[4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 57303802
5-[2-[4-[[5-methoxy-2-(3-methylbutyl)-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19750623
5-[2-[4-[(5-propoxy-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750479
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528
5-[2-[4-[(2-tert-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750219
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
5-[2-[4-[[5-[(E)-but-1-enyl]-3-methoxy-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19903685
2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 19002129

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine (CID 10833827) is 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine is COc1cc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1.
What is the InChIKey of 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XMMSEHCGHANQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c1-29-20-13-16(28-19(23-20)10-11-22-28)12-14-6-8-15(9-7-14)17-4-2-3-5-18(17)21-24-26-27-25-21/h2-11,13H,12H2,1H3,(H,24,25,26,27).
What are the key properties of 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 383.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10833827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).