[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone

C19H19ClN6O — CID 60536231

IUPAC[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1NCc1nnnn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C19H19ClN6O/c20-14-8-9-16(19(27)25-10-4-5-11-25)17(12-14)21-13-18-22-23-24-26(18)15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13H2
InChIKeyDPSVNTGCSIBKEI-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.16
Rot. Bonds5

About [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone

[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 60536231) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID60536231
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1NCc1nnnn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C19H19ClN6O/c20-14-8-9-16(19(27)25-10-4-5-11-25)17(12-14)21-13-18-22-23-24-26(18)15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13H2
InChIKeyDPSVNTGCSIBKEI-UHFFFAOYSA-N
XLogP3.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[2-chloro-4-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 55917550
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 22493345
5-chloro-N-[(1-phenyltetrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 47037686
(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
[4-chloro-2-(5-hydroxypentylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 111770354
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone (CID 60536231) is [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Cl)cc1NCc1nnnn1-c1ccccc1)N1CCCC1.
What is the InChIKey of [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DPSVNTGCSIBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-14-8-9-16(19(27)25-10-4-5-11-25)17(12-14)21-13-18-22-23-24-26(18)15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13H2.
What are the key properties of [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone?
[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 382.86 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 60536231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).