N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

C24H17ClN6O2S — CID 134052896

IUPACN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)n2)c[nH]1
InChIInChI=1S/C24H17ClN6O2S/c25-16-8-6-14(7-9-16)21-18(12-31(30-21)17-4-2-1-3-5-17)23(33)29-24-28-20(13-34-24)15-10-19(22(26)32)27-11-15/h1-13,27H,(H2,26,32)(H,28,29,33)
InChIKeyXPPAYXBPCCDSAE-UHFFFAOYSA-N
MW488.96 g/mol
LogP5.00
Rot. Bonds6

About N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 134052896) has the molecular formula C24H17ClN6O2S and a molecular weight of 488.96 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID134052896
Molecular FormulaC24H17ClN6O2S
Molecular Weight488.96 g/mol
Exact Mass488.08
IUPAC NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)n2)c[nH]1
InChIInChI=1S/C24H17ClN6O2S/c25-16-8-6-14(7-9-16)21-18(12-31(30-21)17-4-2-1-3-5-17)23(33)29-24-28-20(13-34-24)15-10-19(22(26)32)27-11-15/h1-13,27H,(H2,26,32)(H,28,29,33)
InChIKeyXPPAYXBPCCDSAE-UHFFFAOYSA-N
XLogP5.00
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
4-[2-[(5-chloro-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30710663
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593
4-[2-[(5-bromo-2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30658540
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
methyl 4-[2-[(1-phenylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 46430847
4-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46531472
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16604951

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (CID 134052896) is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)n2)c[nH]1.
What is the InChIKey of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XPPAYXBPCCDSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2S/c25-16-8-6-14(7-9-16)21-18(12-31(30-21)17-4-2-1-3-5-17)23(33)29-24-28-20(13-34-24)15-10-19(22(26)32)27-11-15/h1-13,27H,(H2,26,32)(H,28,29,33).
What are the key properties of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 488.96 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 134052896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).