[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol

C15H17N5O — CID 57174007

IUPAC[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol
SMILESCCn1ccc(-c2nn[nH]n2)c1Cc1ccc(CO)cc1
InChIInChI=1S/C15H17N5O/c1-2-20-8-7-13(15-16-18-19-17-15)14(20)9-11-3-5-12(10-21)6-4-11/h3-8,21H,2,9-10H2,1H3,(H,16,17,18,19)
InChIKeyCDIVMWAOVIOHEN-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.77
Rot. Bonds5

About [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol

[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol (PubChem CID 57174007) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol
PubChem CID57174007
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol
SMILESCCn1ccc(-c2nn[nH]n2)c1Cc1ccc(CO)cc1
InChIInChI=1S/C15H17N5O/c1-2-20-8-7-13(15-16-18-19-17-15)14(20)9-11-3-5-12(10-21)6-4-11/h3-8,21H,2,9-10H2,1H3,(H,16,17,18,19)
InChIKeyCDIVMWAOVIOHEN-UHFFFAOYSA-N
XLogP1.77
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol (CID 57174007) is [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol is CCn1ccc(-c2nn[nH]n2)c1Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol?
The InChIKey is CDIVMWAOVIOHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-20-8-7-13(15-16-18-19-17-15)14(20)9-11-3-5-12(10-21)6-4-11/h3-8,21H,2,9-10H2,1H3,(H,16,17,18,19).
What are the key properties of [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol?
[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol has a molecular weight of 283.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 57174007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).