N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide

C24H23ClN4O — CID 164806003

IUPACN-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
SMILESCn1nc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1cc2ncccc2cc1Cl
InChIInChI=1S/C24H23ClN4O/c1-24(2,3)17-9-7-15(8-10-17)21-14-22(29(4)28-21)27-23(30)18-13-20-16(12-19(18)25)6-5-11-26-20/h5-14H,1-4H3,(H,27,30)
InChIKeyPXGASZFHRKITLB-UHFFFAOYSA-N
MW418.93 g/mol
LogP5.84
Rot. Bonds3

About N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide

N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide (PubChem CID 164806003) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
PubChem CID164806003
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC NameN-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
SMILESCn1nc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1cc2ncccc2cc1Cl
InChIInChI=1S/C24H23ClN4O/c1-24(2,3)17-9-7-15(8-10-17)21-14-22(29(4)28-21)27-23(30)18-13-20-16(12-19(18)25)6-5-11-26-20/h5-14H,1-4H3,(H,27,30)
InChIKeyPXGASZFHRKITLB-UHFFFAOYSA-N
XLogP5.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide
CID 155288458
6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287780
6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287720
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 155288495
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide
CID 46964112
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxamide
CID 170596382

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide?
The IUPAC name of N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide (CID 164806003) is N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide?
The canonical SMILES for N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide is Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1cc2ncccc2cc1Cl.
What is the InChIKey of N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide?
The InChIKey is PXGASZFHRKITLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-24(2,3)17-9-7-15(8-10-17)21-14-22(29(4)28-21)27-23(30)18-13-20-16(12-19(18)25)6-5-11-26-20/h5-14H,1-4H3,(H,27,30).
What are the key properties of N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide?
N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide has a molecular weight of 418.93 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide is sourced from PubChem (CID 164806003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).