1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C15H18ClN5O — CID 118786989

IUPAC1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1nnnn1CCC(=O)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C15H18ClN5O/c1-11-17-18-19-21(11)9-7-15(22)20-8-6-12(10-20)13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3
InChIKeyLXIICHCAFODGLK-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.04
Rot. Bonds4

About 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 118786989) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID118786989
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1nnnn1CCC(=O)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C15H18ClN5O/c1-11-17-18-19-21(11)9-7-15(22)20-8-6-12(10-20)13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3
InChIKeyLXIICHCAFODGLK-UHFFFAOYSA-N
XLogP2.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
CID 119064064
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
4-[2-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 126425673
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70729575
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91767867
5-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136835264

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 118786989) is 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is Cc1nnnn1CCC(=O)N1CCC(c2ccccc2Cl)C1.
What is the InChIKey of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is LXIICHCAFODGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-11-17-18-19-21(11)9-7-15(22)20-8-6-12(10-20)13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 319.80 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 118786989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).