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

C23H21N7S — CID 19975849

IUPAC5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(SCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C23H21N7S/c1-2-5-18-14-22(30-21(25-18)12-13-24-30)31-15-16-8-10-17(11-9-16)19-6-3-4-7-20(19)23-26-28-29-27-23/h3-4,6-14H,2,5,15H2,1H3,(H,26,27,28,29)
InChIKeyCIMKWTDYDJYYCR-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.82
Rot. Bonds7

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

5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 19975849) has the molecular formula C23H21N7S and a molecular weight of 427.54 g/mol. Its IUPAC name is 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine
PubChem CID19975849
Molecular FormulaC23H21N7S
Molecular Weight427.54 g/mol
Exact Mass427.16
IUPAC Name5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(SCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C23H21N7S/c1-2-5-18-14-22(30-21(25-18)12-13-24-30)31-15-16-8-10-17(11-9-16)19-6-3-4-7-20(19)23-26-28-29-27-23/h3-4,6-14H,2,5,15H2,1H3,(H,26,27,28,29)
InChIKeyCIMKWTDYDJYYCR-UHFFFAOYSA-N
XLogP4.82
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-7-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 18958912
2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]phenyl]benzonitrile
CID 19975971
5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 10833827
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528
2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002152
6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 10693016
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787
2-[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethanethial
CID 19903802
6-methylsulfanyl-3-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 19811549
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136

Frequently Asked Questions

What is the IUPAC name of 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine (CID 19975849) is 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine is CCCc1cc(SCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1.
What is the InChIKey of 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CIMKWTDYDJYYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7S/c1-2-5-18-14-22(30-21(25-18)12-13-24-30)31-15-16-8-10-17(11-9-16)19-6-3-4-7-20(19)23-26-28-29-27-23/h3-4,6-14H,2,5,15H2,1H3,(H,26,27,28,29).
What are the key properties of 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine?
5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 427.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 19975849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).