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

C25H29N5O — CID 67267171

IUPAC[3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol
SMILESCCCc1cc(C(C)C)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H29N5O/c1-4-7-20-14-23(17(2)3)24(16-31)30(20)15-18-10-12-19(13-11-18)21-8-5-6-9-22(21)25-26-28-29-27-25/h5-6,8-14,17,31H,4,7,15-16H2,1-3H3,(H,26,27,28,29)
InChIKeyDCMHELNEDDKGNL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.95
Rot. Bonds8

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

[3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol (PubChem CID 67267171) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol
PubChem CID67267171
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name[3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol
SMILESCCCc1cc(C(C)C)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H29N5O/c1-4-7-20-14-23(17(2)3)24(16-31)30(20)15-18-10-12-19(13-11-18)21-8-5-6-9-22(21)25-26-28-29-27-25/h5-6,8-14,17,31H,4,7,15-16H2,1-3H3,(H,26,27,28,29)
InChIKeyDCMHELNEDDKGNL-UHFFFAOYSA-N
XLogP4.95
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-pentyl-3-propan-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrole-2-carbaldehyde
CID 87130790
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
1-butan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740663
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 19892186
1-propanoyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741156
5-[2-[4-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903677
1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566840
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
5-[2-[4-[[4-chloro-5-(propan-2-yloxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 70973303
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 68636440
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
CID 45039667
4-butyl-1-(2-chloro-6-propan-2-ylphenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 10119108

Frequently Asked Questions

What is the IUPAC name of [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol?
The IUPAC name of [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol (CID 67267171) is [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol?
The canonical SMILES for [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol is CCCc1cc(C(C)C)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol?
The InChIKey is DCMHELNEDDKGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-4-7-20-14-23(17(2)3)24(16-31)30(20)15-18-10-12-19(13-11-18)21-8-5-6-9-22(21)25-26-28-29-27-25/h5-6,8-14,17,31H,4,7,15-16H2,1-3H3,(H,26,27,28,29).
What are the key properties of [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol?
[3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol has a molecular weight of 415.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 67267171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).