1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide

C20H18ClN3O2 — CID 18132090

IUPAC1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-7-3-1-5-14(17)12-24-13-15(11-22-24)20(25)23-18-9-10-26-19-8-4-2-6-16(18)19/h1-8,11,13,18H,9-10,12H2,(H,23,25)
InChIKeyAQEJXYZNFGJDHF-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.84
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide (PubChem CID 18132090) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
PubChem CID18132090
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-7-3-1-5-14(17)12-24-13-15(11-22-24)20(25)23-18-9-10-26-19-8-4-2-6-16(18)19/h1-8,11,13,18H,9-10,12H2,(H,23,25)
InChIKeyAQEJXYZNFGJDHF-UHFFFAOYSA-N
XLogP3.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide (CID 18132090) is 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide is O=C(NC1CCOc2ccccc21)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The InChIKey is AQEJXYZNFGJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-17-7-3-1-5-14(17)12-24-13-15(11-22-24)20(25)23-18-9-10-26-19-8-4-2-6-16(18)19/h1-8,11,13,18H,9-10,12H2,(H,23,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 18132090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).