3-[(1-methylpyrazol-4-yl)amino]propanamide

C7H12N4O — CID 79770849

IUPAC3-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCn1cc(NCCC(N)=O)cn1
InChIInChI=1S/C7H12N4O/c1-11-5-6(4-10-11)9-3-2-7(8)12/h4-5,9H,2-3H2,1H3,(H2,8,12)
InChIKeyLMGXYFHDACNOCC-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.29
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)amino]propanamide

3-[(1-methylpyrazol-4-yl)amino]propanamide (PubChem CID 79770849) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]propanamide
PubChem CID79770849
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCn1cc(NCCC(N)=O)cn1
InChIInChI=1S/C7H12N4O/c1-11-5-6(4-10-11)9-3-2-7(8)12/h4-5,9H,2-3H2,1H3,(H2,8,12)
InChIKeyLMGXYFHDACNOCC-UHFFFAOYSA-N
XLogP-0.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 103256769
6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
CID 107703485
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine
CID 106723988
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
CID 130614621
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 79771007
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 79797778
(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid
CID 135303812
3-[(3-methyltriazol-4-yl)amino]propanamide
CID 130486194

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]propanamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]propanamide (CID 79770849) is 3-[(1-methylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]propanamide is Cn1cc(NCCC(N)=O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]propanamide?
The InChIKey is LMGXYFHDACNOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-5-6(4-10-11)9-3-2-7(8)12/h4-5,9H,2-3H2,1H3,(H2,8,12).
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]propanamide?
3-[(1-methylpyrazol-4-yl)amino]propanamide has a molecular weight of 168.20 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 79770849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).