N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide

C12H22N6O3S — CID 119069467

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H22N6O3S/c1-9-11(10(2)16-15-9)3-4-14-12(19)17-5-7-18(8-6-17)22(13,20)21/h3-8H2,1-2H3,(H,14,19)(H,15,16)(H2,13,20,21)
InChIKeyOEQHVXMIGTVQFD-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.90
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 119069467) has the molecular formula C12H22N6O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
PubChem CID119069467
Molecular FormulaC12H22N6O3S
Molecular Weight330.41 g/mol
Exact Mass330.15
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H22N6O3S/c1-9-11(10(2)16-15-9)3-4-14-12(19)17-5-7-18(8-6-17)22(13,20)21/h3-8H2,1-2H3,(H,14,19)(H,15,16)(H2,13,20,21)
InChIKeyOEQHVXMIGTVQFD-UHFFFAOYSA-N
XLogP-0.90
TPSA124.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide (CID 119069467) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is OEQHVXMIGTVQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3S/c1-9-11(10(2)16-15-9)3-4-14-12(19)17-5-7-18(8-6-17)22(13,20)21/h3-8H2,1-2H3,(H,14,19)(H,15,16)(H2,13,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 119069467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).