N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide

C20H15ClN4O — CID 30397973

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)c1cccc2ncccc12
InChIInChI=1S/C20H15ClN4O/c21-17-8-2-1-5-14(17)13-25-19(10-12-23-25)24-20(26)16-6-3-9-18-15(16)7-4-11-22-18/h1-12H,13H2,(H,24,26)
InChIKeyVKZWZDAIAWQRFZ-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.39
Rot. Bonds4

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide (PubChem CID 30397973) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
PubChem CID30397973
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)c1cccc2ncccc12
InChIInChI=1S/C20H15ClN4O/c21-17-8-2-1-5-14(17)13-25-19(10-12-23-25)24-20(26)16-6-3-9-18-15(16)7-4-11-22-18/h1-12H,13H2,(H,24,26)
InChIKeyVKZWZDAIAWQRFZ-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide (CID 30397973) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide is O=C(Nc1ccnn1Cc1ccccc1Cl)c1cccc2ncccc12.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide?
The InChIKey is VKZWZDAIAWQRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-17-8-2-1-5-14(17)13-25-19(10-12-23-25)24-20(26)16-6-3-9-18-15(16)7-4-11-22-18/h1-12H,13H2,(H,24,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide is sourced from PubChem (CID 30397973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).