1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one

C19H25ClN6O2 — CID 24819390

IUPAC1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H25ClN6O2/c20-17-3-1-2-15(12-17)16-4-6-25(13-16)19(27)5-7-26-18(21-22-23-26)14-24-8-10-28-11-9-24/h1-3,12,16H,4-11,13-14H2
InChIKeyUYIHYMMXYXVFMU-UHFFFAOYSA-N
MW404.90 g/mol
LogP1.56
Rot. Bonds6

About 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one

1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (PubChem CID 24819390) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
PubChem CID24819390
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC Name1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H25ClN6O2/c20-17-3-1-2-15(12-17)16-4-6-25(13-16)19(27)5-7-26-18(21-22-23-26)14-24-8-10-28-11-9-24/h1-3,12,16H,4-11,13-14H2
InChIKeyUYIHYMMXYXVFMU-UHFFFAOYSA-N
XLogP1.56
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one 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

4-[(1-{4-[3-(4-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24819272
4-[(1-{4-[3-(2-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24790697
1-[3-(2-Fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24794257
1-[3-(3-Chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
CID 24791830
1-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 24817153
1-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24817233
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 25395366
1-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26392415
1-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26392417
1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 28309646
1-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 28309647
4-[(1-{3-[4-(2-fluorobenzyl)-1-piperidinyl]-3-oxopropyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 29152815

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The IUPAC name of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (CID 24819390) is 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is O=C(CCn1nnnc1CN1CCOCC1)N1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The InChIKey is UYIHYMMXYXVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O2/c20-17-3-1-2-15(12-17)16-4-6-25(13-16)19(27)5-7-26-18(21-22-23-26)14-24-8-10-28-11-9-24/h1-3,12,16H,4-11,13-14H2.
What are the key properties of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one has a molecular weight of 404.90 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is sourced from PubChem (CID 24819390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).