4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide

C9H15N5O2 — CID 107345394

IUPAC4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)N(C)C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C9H15N5O2/c1-5(9(16)13(2)3)14-4-6(10)7(12-14)8(11)15/h4-5H,10H2,1-3H3,(H2,11,15)
InChIKeyGQYSXMLYHDNGSS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.79
Rot. Bonds3

About 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide

4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide (PubChem CID 107345394) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
PubChem CID107345394
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)N(C)C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C9H15N5O2/c1-5(9(16)13(2)3)14-4-6(10)7(12-14)8(11)15/h4-5H,10H2,1-3H3,(H2,11,15)
InChIKeyGQYSXMLYHDNGSS-UHFFFAOYSA-N
XLogP-0.79
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
CID 165471957
4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
CID 107345192
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 81444021
4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344126
N,N-dimethyl-2-(4-propan-2-ylimidazol-1-yl)propanamide
CID 134379970
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129
ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 144607430

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide (CID 107345394) is 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide is CC(C(=O)N(C)C)n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is GQYSXMLYHDNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5(9(16)13(2)3)14-4-6(10)7(12-14)8(11)15/h4-5H,10H2,1-3H3,(H2,11,15).
What are the key properties of 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide?
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).