N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C22H20N6O2S — CID 37029223

IUPACN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1C1CC1
InChIInChI=1S/C22H20N6O2S/c1-12-4-2-3-5-18(12)28-19(13-6-7-13)15(10-25-28)21(30)27-22-26-17(11-31-22)14-8-16(20(23)29)24-9-14/h2-5,8-11,13,24H,6-7H2,1H3,(H2,23,29)(H,26,27,30)
InChIKeyHNYHREXIWNCVLG-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.86
Rot. Bonds6

About N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 37029223) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID37029223
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1C1CC1
InChIInChI=1S/C22H20N6O2S/c1-12-4-2-3-5-18(12)28-19(13-6-7-13)15(10-25-28)21(30)27-22-26-17(11-31-22)14-8-16(20(23)29)24-9-14/h2-5,8-11,13,24H,6-7H2,1H3,(H2,23,29)(H,26,27,30)
InChIKeyHNYHREXIWNCVLG-UHFFFAOYSA-N
XLogP3.86
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55605099
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37141769
4-[2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55528919
4-[2-[(5-bromo-2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30658540
4-[2-[(5-chloro-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30710663
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 37029223) is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1C1CC1.
What is the InChIKey of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is HNYHREXIWNCVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-12-4-2-3-5-18(12)28-19(13-6-7-13)15(10-25-28)21(30)27-22-26-17(11-31-22)14-8-16(20(23)29)24-9-14/h2-5,8-11,13,24H,6-7H2,1H3,(H2,23,29)(H,26,27,30).
What are the key properties of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.86, 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]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37029223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).