(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide

C15H15Cl2N3O2 — CID 35274234

IUPAC(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)[C@H]1CCCO1
InChIInChI=1S/C15H15Cl2N3O2/c16-11-3-1-4-12(17)10(11)9-20-7-6-14(19-20)18-15(21)13-5-2-8-22-13/h1,3-4,6-7,13H,2,5,8-9H2,(H,18,19,21)/t13-/m1/s1
InChIKeyVPJPSZPPNDIYDA-CYBMUJFWSA-N
MW340.21 g/mol
LogP3.36
Rot. Bonds4

About (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide

(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 35274234) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID35274234
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)[C@H]1CCCO1
InChIInChI=1S/C15H15Cl2N3O2/c16-11-3-1-4-12(17)10(11)9-20-7-6-14(19-20)18-15(21)13-5-2-8-22-13/h1,3-4,6-7,13H,2,5,8-9H2,(H,18,19,21)/t13-/m1/s1
InChIKeyVPJPSZPPNDIYDA-CYBMUJFWSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495642
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19407074
1-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-propan-2-ylthiourea
CID 19401451
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dinitrobenzamide
CID 19407002
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19407162
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974006
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
(E)-3-(2-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19406967

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide (CID 35274234) is (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide is O=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is VPJPSZPPNDIYDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-11-3-1-4-12(17)10(11)9-20-7-6-14(19-20)18-15(21)13-5-2-8-22-13/h1,3-4,6-7,13H,2,5,8-9H2,(H,18,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 35274234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).