3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid

C24H27N7O5 — CID 129250561

IUPAC3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid
SMILESCOc1ccc(Cn2nnc(C(O)COc3ccc(-c4cnn(CCCNC(=O)O)c4)cc3)n2)cc1
InChIInChI=1S/C24H27N7O5/c1-35-20-7-3-17(4-8-20)14-31-28-23(27-29-31)22(32)16-36-21-9-5-18(6-10-21)19-13-26-30(15-19)12-2-11-25-24(33)34/h3-10,13,15,22,25,32H,2,11-12,14,16H2,1H3,(H,33,34)
InChIKeyNIAUOWASLINNSA-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.36
Rot. Bonds12

About 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid

3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid (PubChem CID 129250561) has the molecular formula C24H27N7O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid.

Molecular Properties

Compound Name3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid
PubChem CID129250561
Molecular FormulaC24H27N7O5
Molecular Weight493.52 g/mol
Exact Mass493.21
IUPAC Name3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid
SMILESCOc1ccc(Cn2nnc(C(O)COc3ccc(-c4cnn(CCCNC(=O)O)c4)cc3)n2)cc1
InChIInChI=1S/C24H27N7O5/c1-35-20-7-3-17(4-8-20)14-31-28-23(27-29-31)22(32)16-36-21-9-5-18(6-10-21)19-13-26-30(15-19)12-2-11-25-24(33)34/h3-10,13,15,22,25,32H,2,11-12,14,16H2,1H3,(H,33,34)
InChIKeyNIAUOWASLINNSA-UHFFFAOYSA-N
XLogP2.36
TPSA149.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid?
The IUPAC name of 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid (CID 129250561) is 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid.
What is the SMILES notation for 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid?
The canonical SMILES for 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid is COc1ccc(Cn2nnc(C(O)COc3ccc(-c4cnn(CCCNC(=O)O)c4)cc3)n2)cc1.
What is the InChIKey of 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid?
The InChIKey is NIAUOWASLINNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O5/c1-35-20-7-3-17(4-8-20)14-31-28-23(27-29-31)22(32)16-36-21-9-5-18(6-10-21)19-13-26-30(15-19)12-2-11-25-24(33)34/h3-10,13,15,22,25,32H,2,11-12,14,16H2,1H3,(H,33,34).
What are the key properties of 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid?
3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid has a molecular weight of 493.52 g/mol, XLogP of 2.36, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid is sourced from PubChem (CID 129250561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).