5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide

C9H14N4O2 — CID 62307907

IUPAC5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1cn[nH]c1C
InChIInChI=1S/C9H14N4O2/c1-6-7(5-12-13-6)9(15)11-4-3-8(14)10-2/h5H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
InChIKeyIFGCZDLDYKNZBM-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.42
Rot. Bonds4

About 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide (PubChem CID 62307907) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
PubChem CID62307907
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1cn[nH]c1C
InChIInChI=1S/C9H14N4O2/c1-6-7(5-12-13-6)9(15)11-4-3-8(14)10-2/h5H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
InChIKeyIFGCZDLDYKNZBM-UHFFFAOYSA-N
XLogP-0.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide (CID 62307907) is 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide is CNC(=O)CCNC(=O)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IFGCZDLDYKNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-7(5-12-13-6)9(15)11-4-3-8(14)10-2/h5H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13).
What are the key properties of 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62307907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).