4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide

C10H19N5O — CID 66014592

IUPAC4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide
SMILESCCc1nn(C)c(NCCCC(N)=O)c1N
InChIInChI=1S/C10H19N5O/c1-3-7-9(12)10(15(2)14-7)13-6-4-5-8(11)16/h13H,3-6,12H2,1-2H3,(H2,11,16)
InChIKeyPZROQUKYMJGQNZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.24
Rot. Bonds6

About 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide

4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide (PubChem CID 66014592) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide
PubChem CID66014592
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide
SMILESCCc1nn(C)c(NCCCC(N)=O)c1N
InChIInChI=1S/C10H19N5O/c1-3-7-9(12)10(15(2)14-7)13-6-4-5-8(11)16/h13H,3-6,12H2,1-2H3,(H2,11,16)
InChIKeyPZROQUKYMJGQNZ-UHFFFAOYSA-N
XLogP0.24
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide?
The IUPAC name of 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide (CID 66014592) is 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide.
What is the SMILES notation for 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide?
The canonical SMILES for 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide is CCc1nn(C)c(NCCCC(N)=O)c1N.
What is the InChIKey of 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide?
The InChIKey is PZROQUKYMJGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-7-9(12)10(15(2)14-7)13-6-4-5-8(11)16/h13H,3-6,12H2,1-2H3,(H2,11,16).
What are the key properties of 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide?
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide has a molecular weight of 225.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide is sourced from PubChem (CID 66014592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).