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

C11H21N5O — CID 66018194

IUPAC2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
SMILESCC(C)c1nn(C)c(NCC(=O)N(C)C)c1N
InChIInChI=1S/C11H21N5O/c1-7(2)10-9(12)11(16(5)14-10)13-6-8(17)15(3)4/h7,13H,6,12H2,1-5H3
InChIKeyRRSOQQSSOYRDFT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.63
Rot. Bonds4

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

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide (PubChem CID 66018194) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
PubChem CID66018194
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
SMILESCC(C)c1nn(C)c(NCC(=O)N(C)C)c1N
InChIInChI=1S/C11H21N5O/c1-7(2)10-9(12)11(16(5)14-10)13-6-8(17)15(3)4/h7,13H,6,12H2,1-5H3
InChIKeyRRSOQQSSOYRDFT-UHFFFAOYSA-N
XLogP0.63
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide (CID 66018194) is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide is CC(C)c1nn(C)c(NCC(=O)N(C)C)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide?
The InChIKey is RRSOQQSSOYRDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-7(2)10-9(12)11(16(5)14-10)13-6-8(17)15(3)4/h7,13H,6,12H2,1-5H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide?
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 66018194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).