5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide

C24H22ClN3O — CID 19631270

IUPAC5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1
InChIInChI=1S/C24H22ClN3O/c1-15-22(16(2)28(3)27-15)14-17-10-12-18(13-11-17)26-24(29)21-8-4-7-20-19(21)6-5-9-23(20)25/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyFEEPAAUJJTZGKE-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.69
Rot. Bonds4

About 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide

5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 19631270) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide
PubChem CID19631270
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1
InChIInChI=1S/C24H22ClN3O/c1-15-22(16(2)28(3)27-15)14-17-10-12-18(13-11-17)26-24(29)21-8-4-7-20-19(21)6-5-9-23(20)25/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyFEEPAAUJJTZGKE-UHFFFAOYSA-N
XLogP5.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 22781791
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
3,5-dibromo-2-methoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 23100728
2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959378
3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629323
3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
CID 959379
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 959425
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
4-methyl-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide
CID 19630327
4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629363
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide (CID 19631270) is 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide is Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1.
What is the InChIKey of 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is FEEPAAUJJTZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-15-22(16(2)28(3)27-15)14-17-10-12-18(13-11-17)26-24(29)21-8-4-7-20-19(21)6-5-9-23(20)25/h4-13H,14H2,1-3H3,(H,26,29).
What are the key properties of 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide?
5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 19631270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).