4-[(2-methylpyrazol-3-yl)methylamino]butanamide

C9H16N4O — CID 60863582

IUPAC4-[(2-methylpyrazol-3-yl)methylamino]butanamide
SMILESCn1nccc1CNCCCC(N)=O
InChIInChI=1S/C9H16N4O/c1-13-8(4-6-12-13)7-11-5-2-3-9(10)14/h4,6,11H,2-3,5,7H2,1H3,(H2,10,14)
InChIKeyLWVCANLPJJNBLN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.22
Rot. Bonds6

About 4-[(2-methylpyrazol-3-yl)methylamino]butanamide

4-[(2-methylpyrazol-3-yl)methylamino]butanamide (PubChem CID 60863582) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methylamino]butanamide
PubChem CID60863582
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[(2-methylpyrazol-3-yl)methylamino]butanamide
SMILESCn1nccc1CNCCCC(N)=O
InChIInChI=1S/C9H16N4O/c1-13-8(4-6-12-13)7-11-5-2-3-9(10)14/h4,6,11H,2-3,5,7H2,1H3,(H2,10,14)
InChIKeyLWVCANLPJJNBLN-UHFFFAOYSA-N
XLogP-0.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide
CID 60863950
5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
CID 106234174
4-[(2-propan-2-ylpyrazol-3-yl)methylamino]butanoic acid
CID 170356656
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methylamino]butanamide?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methylamino]butanamide (CID 60863582) is 4-[(2-methylpyrazol-3-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methylamino]butanamide?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methylamino]butanamide is Cn1nccc1CNCCCC(N)=O.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methylamino]butanamide?
The InChIKey is LWVCANLPJJNBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-8(4-6-12-13)7-11-5-2-3-9(10)14/h4,6,11H,2-3,5,7H2,1H3,(H2,10,14).
What are the key properties of 4-[(2-methylpyrazol-3-yl)methylamino]butanamide?
4-[(2-methylpyrazol-3-yl)methylamino]butanamide has a molecular weight of 196.25 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methylamino]butanamide is sourced from PubChem (CID 60863582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).