N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide

C10H18N4O3S — CID 69380132

IUPACN-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H18N4O3S/c1-6(2)12-10(15)9-8(5-11-13-9)14-18(16,17)7(3)4/h5-7,14H,1-4H3,(H,11,13)(H,12,15)
InChIKeyWIBYOEBQEYYVKI-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.70
Rot. Bonds5

About N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide

N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide (PubChem CID 69380132) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
PubChem CID69380132
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H18N4O3S/c1-6(2)12-10(15)9-8(5-11-13-9)14-18(16,17)7(3)4/h5-7,14H,1-4H3,(H,11,13)(H,12,15)
InChIKeyWIBYOEBQEYYVKI-UHFFFAOYSA-N
XLogP0.70
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide (CID 69380132) is N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is WIBYOEBQEYYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-6(2)12-10(15)9-8(5-11-13-9)14-18(16,17)7(3)4/h5-7,14H,1-4H3,(H,11,13)(H,12,15).
What are the key properties of N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69380132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).