N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

C27H27N7O2 — CID 95149481

IUPACN'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESO=C(NNC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H27N7O2/c35-26(29-30-27(36)24(33-17-7-8-18-33)21-9-3-1-4-10-21)23-15-13-20(14-16-23)19-34-31-25(28-32-34)22-11-5-2-6-12-22/h1-6,9-16,24H,7-8,17-19H2,(H,29,35)(H,30,36)/t24-/m0/s1
InChIKeyCKZHXGJEOBPFFG-DEOSSOPVSA-N
MW481.56 g/mol
LogP2.99
Rot. Bonds7

About N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (PubChem CID 95149481) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
PubChem CID95149481
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESO=C(NNC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H27N7O2/c35-26(29-30-27(36)24(33-17-7-8-18-33)21-9-3-1-4-10-21)23-15-13-20(14-16-23)19-34-31-25(28-32-34)22-11-5-2-6-12-22/h1-6,9-16,24H,7-8,17-19H2,(H,29,35)(H,30,36)/t24-/m0/s1
InChIKeyCKZHXGJEOBPFFG-DEOSSOPVSA-N
XLogP2.99
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55792292
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46491518
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
CID 24541902
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (CID 95149481) is N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is O=C(NNC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The InChIKey is CKZHXGJEOBPFFG-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H27N7O2/c35-26(29-30-27(36)24(33-17-7-8-18-33)21-9-3-1-4-10-21)23-15-13-20(14-16-23)19-34-31-25(28-32-34)22-11-5-2-6-12-22/h1-6,9-16,24H,7-8,17-19H2,(H,29,35)(H,30,36)/t24-/m0/s1.
What are the key properties of N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide has a molecular weight of 481.56 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 95149481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).