N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H22N4O3S — CID 61013814

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1c(C)n[nH]c1C)S(C)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-16(20(4,18)19)8-6-7-13-12(17)11-9(2)14-15-10(11)3/h5-8H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyCJDGWWXDPDCESB-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.43
Rot. Bonds7

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61013814) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61013814
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1c(C)n[nH]c1C)S(C)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-16(20(4,18)19)8-6-7-13-12(17)11-9(2)14-15-10(11)3/h5-8H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyCJDGWWXDPDCESB-UHFFFAOYSA-N
XLogP0.43
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113232975
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 63103781
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61447670
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61013814) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCN(CCCNC(=O)c1c(C)n[nH]c1C)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CJDGWWXDPDCESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-5-16(20(4,18)19)8-6-7-13-12(17)11-9(2)14-15-10(11)3/h5-8H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61013814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).