5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole

C18H23N7 — CID 50948643

IUPAC5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole
SMILESCc1nn(-c2nn[nH]n2)c(C)c1-c1cccc(C(C)N2CCCC2)c1
InChIInChI=1S/C18H23N7/c1-12-17(14(3)25(21-12)18-19-22-23-20-18)16-8-6-7-15(11-16)13(2)24-9-4-5-10-24/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,19,20,22,23)
InChIKeyNYNALZOTSDHTSU-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.83
Rot. Bonds4

About 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole

5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole (PubChem CID 50948643) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole
PubChem CID50948643
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole
SMILESCc1nn(-c2nn[nH]n2)c(C)c1-c1cccc(C(C)N2CCCC2)c1
InChIInChI=1S/C18H23N7/c1-12-17(14(3)25(21-12)18-19-22-23-20-18)16-8-6-7-15(11-16)13(2)24-9-4-5-10-24/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,19,20,22,23)
InChIKeyNYNALZOTSDHTSU-UHFFFAOYSA-N
XLogP2.83
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
CID 95120369
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759
2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
3-methylsulfanyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126427612
3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126437933

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole?
The IUPAC name of 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole (CID 50948643) is 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole?
The canonical SMILES for 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole is Cc1nn(-c2nn[nH]n2)c(C)c1-c1cccc(C(C)N2CCCC2)c1.
What is the InChIKey of 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole?
The InChIKey is NYNALZOTSDHTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-12-17(14(3)25(21-12)18-19-22-23-20-18)16-8-6-7-15(11-16)13(2)24-9-4-5-10-24/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,19,20,22,23).
What are the key properties of 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole?
5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole has a molecular weight of 337.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole is sourced from PubChem (CID 50948643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).