N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C18H18N4O2S — CID 108804228

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1sc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C(N)=O)c1C
InChIInChI=1S/C18H18N4O2S/c1-10-12(3)25-18(15(10)16(19)23)21-17(24)14-9-20-22(11(14)2)13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,19,23)(H,21,24)
InChIKeyVUEWVYVXGXXNNQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.21
Rot. Bonds4

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108804228) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID108804228
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1sc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C(N)=O)c1C
InChIInChI=1S/C18H18N4O2S/c1-10-12(3)25-18(15(10)16(19)23)21-17(24)14-9-20-22(11(14)2)13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,19,23)(H,21,24)
InChIKeyVUEWVYVXGXXNNQ-UHFFFAOYSA-N
XLogP3.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
ethyl 4,5-dimethyl-2-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 16648920
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56502350
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 108804228) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1sc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VUEWVYVXGXXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-12(3)25-18(15(10)16(19)23)21-17(24)14-9-20-22(11(14)2)13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,19,23)(H,21,24).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108804228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).