N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide

C13H16N4O2S — CID 5112472

IUPACN-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(=O)c2ccnn2C)s1
InChIInChI=1S/C13H16N4O2S/c1-3-4-8-7-9(11(14)18)13(20-8)16-12(19)10-5-6-15-17(10)2/h5-7H,3-4H2,1-2H3,(H2,14,18)(H,16,19)
InChIKeyGMSSQYCXJYWNLZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.79
Rot. Bonds5

About N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide

N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 5112472) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID5112472
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(=O)c2ccnn2C)s1
InChIInChI=1S/C13H16N4O2S/c1-3-4-8-7-9(11(14)18)13(20-8)16-12(19)10-5-6-15-17(10)2/h5-7H,3-4H2,1-2H3,(H2,14,18)(H,16,19)
InChIKeyGMSSQYCXJYWNLZ-UHFFFAOYSA-N
XLogP1.79
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide (CID 5112472) is N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide is CCCc1cc(C(N)=O)c(NC(=O)c2ccnn2C)s1.
What is the InChIKey of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is GMSSQYCXJYWNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-4-8-7-9(11(14)18)13(20-8)16-12(19)10-5-6-15-17(10)2/h5-7H,3-4H2,1-2H3,(H2,14,18)(H,16,19).
What are the key properties of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide?
N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 5112472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).