[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C15H16ClN3O2 — CID 4863056

IUPAC[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnn1COc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-5-13(6-4-12)21-11-19-14(7-8-17-19)15(20)18-9-1-2-10-18/h3-8H,1-2,9-11H2
InChIKeyCLKVODJFBYCNQE-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.81
Rot. Bonds4

About [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4863056) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID4863056
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnn1COc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-5-13(6-4-12)21-11-19-14(7-8-17-19)15(20)18-9-1-2-10-18/h3-8H,1-2,9-11H2
InChIKeyCLKVODJFBYCNQE-UHFFFAOYSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chlorophenyl 1-ethyl-1H-pyrazole-3-carboxylate
CID 892993
(4-Chloro-2-methylpyrazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6469727
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
1-[(2-Fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(thiomorpholin-4-yl)methanone
CID 4776307
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(morpholin-4-yl)methanone
CID 4776382
N-tert-butyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4865147
N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4867070
methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate
CID 7017645
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186
1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19269922

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 4863056) is [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccnn1COc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CLKVODJFBYCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-3-5-13(6-4-12)21-11-19-14(7-8-17-19)15(20)18-9-1-2-10-18/h3-8H,1-2,9-11H2.
What are the key properties of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 305.76 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4863056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).