2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide

C8H15N5O — CID 43554343

IUPAC2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
SMILESCc1nn(C)c(NC(C)C(N)=O)c1N
InChIInChI=1S/C8H15N5O/c1-4-6(9)8(13(3)12-4)11-5(2)7(10)14/h5,11H,9H2,1-3H3,(H2,10,14)
InChIKeyRUNMAARAYSFAFM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.40
Rot. Bonds3

About 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide

2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide (PubChem CID 43554343) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
PubChem CID43554343
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
SMILESCc1nn(C)c(NC(C)C(N)=O)c1N
InChIInChI=1S/C8H15N5O/c1-4-6(9)8(13(3)12-4)11-5(2)7(10)14/h5,11H,9H2,1-3H3,(H2,10,14)
InChIKeyRUNMAARAYSFAFM-UHFFFAOYSA-N
XLogP-0.40
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide?
The IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide (CID 43554343) is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide.
What is the SMILES notation for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide?
The canonical SMILES for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide is Cc1nn(C)c(NC(C)C(N)=O)c1N.
What is the InChIKey of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide?
The InChIKey is RUNMAARAYSFAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-4-6(9)8(13(3)12-4)11-5(2)7(10)14/h5,11H,9H2,1-3H3,(H2,10,14).
What are the key properties of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide?
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide is sourced from PubChem (CID 43554343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).