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

C20H14ClN3O — CID 11078551

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClN3O/c21-17-9-7-14(8-10-17)18-12-19(24-23-18)22-20(25)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H2,22,23,24,25)
InChIKeyPWQBPYMRTDMNLS-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.14
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide (PubChem CID 11078551) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide
PubChem CID11078551
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClN3O/c21-17-9-7-14(8-10-17)18-12-19(24-23-18)22-20(25)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H2,22,23,24,25)
InChIKeyPWQBPYMRTDMNLS-UHFFFAOYSA-N
XLogP5.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.14
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]naphthalene-2-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide (CID 11078551) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide is O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide?
The InChIKey is PWQBPYMRTDMNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-17-9-7-14(8-10-17)18-12-19(24-23-18)22-20(25)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H2,22,23,24,25).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]naphthalene-2-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 5.14, 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]naphthalene-2-carboxamide is sourced from PubChem (CID 11078551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).