ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide

C12H24N4O — CID 145342093

IUPACethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC.CCN(CC(NC)c1cn[nH]c1)C(C)=O
InChIInChI=1S/C10H18N4O.C2H6/c1-4-14(8(2)15)7-10(11-3)9-5-12-13-6-9;1-2/h5-6,10-11H,4,7H2,1-3H3,(H,12,13);1-2H3
InChIKeyVBWPDJWDLIUUCX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.56
Rot. Bonds5

About ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide

ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 145342093) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID145342093
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Nameethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC.CCN(CC(NC)c1cn[nH]c1)C(C)=O
InChIInChI=1S/C10H18N4O.C2H6/c1-4-14(8(2)15)7-10(11-3)9-5-12-13-6-9;1-2/h5-6,10-11H,4,7H2,1-3H3,(H,12,13);1-2H3
InChIKeyVBWPDJWDLIUUCX-UHFFFAOYSA-N
XLogP1.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
CID 103854077
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856370
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 145342093) is ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide is CC.CCN(CC(NC)c1cn[nH]c1)C(C)=O.
What is the InChIKey of ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is VBWPDJWDLIUUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.C2H6/c1-4-14(8(2)15)7-10(11-3)9-5-12-13-6-9;1-2/h5-6,10-11H,4,7H2,1-3H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide?
ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[2-(methylamino)-2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 145342093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).