N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide

C12H22N4O — CID 54881769

IUPACN,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(C)c1ccn[nH]1
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)12(17)7-8-13-10(3)11-6-9-14-15-11/h6,9-10,13H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyWNBUUDQHZBHTQV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.32
Rot. Bonds7

About N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide

N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide (PubChem CID 54881769) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide
PubChem CID54881769
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(C)c1ccn[nH]1
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)12(17)7-8-13-10(3)11-6-9-14-15-11/h6,9-10,13H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyWNBUUDQHZBHTQV-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
CID 83116402
N-propyl-2-[1-(1H-pyrazol-5-yl)ethylamino]acetamide
CID 60973020
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
CID 61498518
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
CID 54934592
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
CID 106157473
5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide
CID 67087165
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide (CID 54881769) is N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide is CCN(CC)C(=O)CCNC(C)c1ccn[nH]1.
What is the InChIKey of N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide?
The InChIKey is WNBUUDQHZBHTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16(5-2)12(17)7-8-13-10(3)11-6-9-14-15-11/h6,9-10,13H,4-5,7-8H2,1-3H3,(H,14,15).
What are the key properties of N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide?
N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide is sourced from PubChem (CID 54881769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).