N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide

C17H23N5O3S — CID 154779474

IUPACN-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c(C2CC2)n1
InChIInChI=1S/C17H23N5O3S/c1-17(2,3)21-26(24,25)12-7-8-14(18-9-12)19-16(23)13-10-22(4)20-15(13)11-5-6-11/h7-11,21H,5-6H2,1-4H3,(H,18,19,23)
InChIKeyQLUDCLKLRLELFE-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.02
Rot. Bonds5

About N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide

N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide (PubChem CID 154779474) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
PubChem CID154779474
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c(C2CC2)n1
InChIInChI=1S/C17H23N5O3S/c1-17(2,3)21-26(24,25)12-7-8-14(18-9-12)19-16(23)13-10-22(4)20-15(13)11-5-6-11/h7-11,21H,5-6H2,1-4H3,(H,18,19,23)
InChIKeyQLUDCLKLRLELFE-UHFFFAOYSA-N
XLogP2.02
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide (CID 154779474) is N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c(C2CC2)n1.
What is the InChIKey of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
The InChIKey is QLUDCLKLRLELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-17(2,3)21-26(24,25)12-7-8-14(18-9-12)19-16(23)13-10-22(4)20-15(13)11-5-6-11/h7-11,21H,5-6H2,1-4H3,(H,18,19,23).
What are the key properties of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154779474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).