2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide

C11H21N5O — CID 66029301

IUPAC2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C11H21N5O/c1-6(2)16-10(9(12)7(3)15-16)14-8(4)11(17)13-5/h6,8,14H,12H2,1-5H3,(H,13,17)
InChIKeyJPAXZSYSKNNMEK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.90
Rot. Bonds4

About 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide

2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide (PubChem CID 66029301) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
PubChem CID66029301
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C11H21N5O/c1-6(2)16-10(9(12)7(3)15-16)14-8(4)11(17)13-5/h6,8,14H,12H2,1-5H3,(H,13,17)
InChIKeyJPAXZSYSKNNMEK-UHFFFAOYSA-N
XLogP0.90
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide (CID 66029301) is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide?
The InChIKey is JPAXZSYSKNNMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-6(2)16-10(9(12)7(3)15-16)14-8(4)11(17)13-5/h6,8,14H,12H2,1-5H3,(H,13,17).
What are the key properties of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide?
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 66029301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).