3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide

C11H19N5O2 — CID 64524663

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-4-5-16(7-10(17)15(2)3)11(18)8-6-9(12)14-13-8/h6H,4-5,7H2,1-3H3,(H3,12,13,14)
InChIKeySTOLTNOMJOBTTE-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.07
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide (PubChem CID 64524663) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
PubChem CID64524663
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-4-5-16(7-10(17)15(2)3)11(18)8-6-9(12)14-13-8/h6H,4-5,7H2,1-3H3,(H3,12,13,14)
InChIKeySTOLTNOMJOBTTE-UHFFFAOYSA-N
XLogP-0.07
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-nitro-1H-pyrazole-5-carboxamide
CID 135478930
5-amino-1H-pyrazole-3-carboxamide
CID 50896559
US10022354, Example 209
CID 132070225
5-amino-N-methyl-1H-pyrazole-3-carboxamide
CID 51072191
3-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 64523621
N-((3-amino-1H-pyrazol-5-yl)methyl)-N-methylacetamide
CID 118703782
3-amino-1-(2,2-difluoroethyl)-N,N-dimethylpyrazole-5-carboxamide
CID 141293296
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523289
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523479
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 64523503
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523675
(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 64524048

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide (CID 64524663) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
The InChIKey is STOLTNOMJOBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-16(7-10(17)15(2)3)11(18)8-6-9(12)14-13-8/h6H,4-5,7H2,1-3H3,(H3,12,13,14).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).