[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol

C18H23N7O — CID 120929923

IUPAC[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)n1cc([C@@H]2CN(c3nnnn3-c3ccccc3)C[C@H]2CO)cn1
InChIInChI=1S/C18H23N7O/c1-13(2)24-10-14(8-19-24)17-11-23(9-15(17)12-26)18-20-21-22-25(18)16-6-4-3-5-7-16/h3-8,10,13,15,17,26H,9,11-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyBSUCGZSACDANIZ-RDJZCZTQSA-N
MW353.43 g/mol
LogP1.65
Rot. Bonds5

About [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol

[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 120929923) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
PubChem CID120929923
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)n1cc([C@@H]2CN(c3nnnn3-c3ccccc3)C[C@H]2CO)cn1
InChIInChI=1S/C18H23N7O/c1-13(2)24-10-14(8-19-24)17-11-23(9-15(17)12-26)18-20-21-22-25(18)16-6-4-3-5-7-16/h3-8,10,13,15,17,26H,9,11-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyBSUCGZSACDANIZ-RDJZCZTQSA-N
XLogP1.65
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol (CID 120929923) is [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol is CC(C)n1cc([C@@H]2CN(c3nnnn3-c3ccccc3)C[C@H]2CO)cn1.
What is the InChIKey of [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is BSUCGZSACDANIZ-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13(2)24-10-14(8-19-24)17-11-23(9-15(17)12-26)18-20-21-22-25(18)16-6-4-3-5-7-16/h3-8,10,13,15,17,26H,9,11-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 353.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 120929923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).