N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

C19H16ClN3O — CID 2821670

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1Cc2ccccc2C1
InChIInChI=1S/C19H16ClN3O/c20-16-7-5-12(6-8-16)17-11-18(23-22-17)21-19(24)15-9-13-3-1-2-4-14(13)10-15/h1-8,11,15H,9-10H2,(H2,21,22,23,24)
InChIKeyKPCZQZCMHFPJAP-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.08
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 2821670) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID2821670
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1Cc2ccccc2C1
InChIInChI=1S/C19H16ClN3O/c20-16-7-5-12(6-8-16)17-11-18(23-22-17)21-19(24)15-9-13-3-1-2-4-14(13)10-15/h1-8,11,15H,9-10H2,(H2,21,22,23,24)
InChIKeyKPCZQZCMHFPJAP-UHFFFAOYSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 2821670) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1Cc2ccccc2C1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KPCZQZCMHFPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-7-5-12(6-8-16)17-11-18(23-22-17)21-19(24)15-9-13-3-1-2-4-14(13)10-15/h1-8,11,15H,9-10H2,(H2,21,22,23,24).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 2821670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).