N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide

C12H12N4O3S — CID 53483031

IUPACN-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H12N4O3S/c17-12(15-20(18,19)11-3-4-11)9-6-14-16(8-9)10-2-1-5-13-7-10/h1-2,5-8,11H,3-4H2,(H,15,17)
InChIKeyUATFFJFPQUTLRL-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.49
Rot. Bonds4

About N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide

N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 53483031) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID53483031
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H12N4O3S/c17-12(15-20(18,19)11-3-4-11)9-6-14-16(8-9)10-2-1-5-13-7-10/h1-2,5-8,11H,3-4H2,(H,15,17)
InChIKeyUATFFJFPQUTLRL-UHFFFAOYSA-N
XLogP0.49
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide (CID 53483031) is N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(NS(=O)(=O)C1CC1)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is UATFFJFPQUTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-12(15-20(18,19)11-3-4-11)9-6-14-16(8-9)10-2-1-5-13-7-10/h1-2,5-8,11H,3-4H2,(H,15,17).
What are the key properties of N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide?
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 53483031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).