3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

C8H14N4O — CID 43663758

IUPAC3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1[nH]ncc1CNCCC(N)=O
InChIInChI=1S/C8H14N4O/c1-6-7(5-11-12-6)4-10-3-2-8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)(H,11,12)
InChIKeyKAKMUOULMGJDBI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.32
Rot. Bonds5

About 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 43663758) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID43663758
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1[nH]ncc1CNCCC(N)=O
InChIInChI=1S/C8H14N4O/c1-6-7(5-11-12-6)4-10-3-2-8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)(H,11,12)
InChIKeyKAKMUOULMGJDBI-UHFFFAOYSA-N
XLogP-0.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]amine
CID 23005762
methyl((3-methyl-1H-pyrazol-4-yl)methyl)amine dihydrochloride
CID 121553850
2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-1-ol
CID 43663748
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 56817425
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
2-methyl-1-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol
CID 63932283
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (CID 43663758) is 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is Cc1[nH]ncc1CNCCC(N)=O.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is KAKMUOULMGJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-7(5-11-12-6)4-10-3-2-8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)(H,11,12).
What are the key properties of 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 43663758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).