N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide

C10H10N4O2S — CID 42110951

IUPACN-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2sccc2C(N)=O)n1
InChIInChI=1S/C10H10N4O2S/c1-14-4-2-7(13-14)9(16)12-10-6(8(11)15)3-5-17-10/h2-5H,1H3,(H2,11,15)(H,12,16)
InChIKeyFOKVCSOTDLRTCE-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.83
Rot. Bonds3

About N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide

N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 42110951) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID42110951
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2sccc2C(N)=O)n1
InChIInChI=1S/C10H10N4O2S/c1-14-4-2-7(13-14)9(16)12-10-6(8(11)15)3-5-17-10/h2-5H,1H3,(H2,11,15)(H,12,16)
InChIKeyFOKVCSOTDLRTCE-UHFFFAOYSA-N
XLogP0.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide (CID 42110951) is N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2sccc2C(N)=O)n1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FOKVCSOTDLRTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-14-4-2-7(13-14)9(16)12-10-6(8(11)15)3-5-17-10/h2-5H,1H3,(H2,11,15)(H,12,16).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide?
N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).