4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide

C10H17N5O3S — CID 62077959

IUPAC4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCCS(N)(=O)=O)n[nH]c1C1CC1
InChIInChI=1S/C10H17N5O3S/c11-7-8(6-2-3-6)14-15-9(7)10(16)13-4-1-5-19(12,17)18/h6H,1-5,11H2,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyQMCQUJXIKKBBCO-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.72
Rot. Bonds6

About 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 62077959) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID62077959
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCCS(N)(=O)=O)n[nH]c1C1CC1
InChIInChI=1S/C10H17N5O3S/c11-7-8(6-2-3-6)14-15-9(7)10(16)13-4-1-5-19(12,17)18/h6H,1-5,11H2,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyQMCQUJXIKKBBCO-UHFFFAOYSA-N
XLogP-0.72
TPSA143.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 106333015
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
CID 106208189
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-3-carboxamide
CID 62079735
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63826168
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 106425250
4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 106324532
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106033606

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide (CID 62077959) is 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)NCCCS(N)(=O)=O)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QMCQUJXIKKBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c11-7-8(6-2-3-6)14-15-9(7)10(16)13-4-1-5-19(12,17)18/h6H,1-5,11H2,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 287.35 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).