2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

C13H22N4O — CID 54863665

IUPAC2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)CNC1CC1
InChIInChI=1S/C13H22N4O/c1-8(2)17-10(4)13(9(3)16-17)15-12(18)7-14-11-5-6-11/h8,11,14H,5-7H2,1-4H3,(H,15,18)
InChIKeyFAZHJQNPTJVURO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

About 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 54863665) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID54863665
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)CNC1CC1
InChIInChI=1S/C13H22N4O/c1-8(2)17-10(4)13(9(3)16-17)15-12(18)7-14-11-5-6-11/h8,11,14H,5-7H2,1-4H3,(H,15,18)
InChIKeyFAZHJQNPTJVURO-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (CID 54863665) is 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is Cc1nn(C(C)C)c(C)c1NC(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is FAZHJQNPTJVURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)17-10(4)13(9(3)16-17)15-12(18)7-14-11-5-6-11/h8,11,14H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 54863665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).