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

C10H19N5O — CID 66018193

IUPAC2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C10H19N5O/c1-6(2)9-8(11)10(15(4)14-9)13-5-7(16)12-3/h6,13H,5,11H2,1-4H3,(H,12,16)
InChIKeySXLPFVFHPBRRRD-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.28
Rot. Bonds4

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

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide (PubChem CID 66018193) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
PubChem CID66018193
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C10H19N5O/c1-6(2)9-8(11)10(15(4)14-9)13-5-7(16)12-3/h6,13H,5,11H2,1-4H3,(H,12,16)
InChIKeySXLPFVFHPBRRRD-UHFFFAOYSA-N
XLogP0.28
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.28
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-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide (CID 66018193) is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide is CNC(=O)CNc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide?
The InChIKey is SXLPFVFHPBRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)9-8(11)10(15(4)14-9)13-5-7(16)12-3/h6,13H,5,11H2,1-4H3,(H,12,16).
What are the key properties of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide?
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide has a molecular weight of 225.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 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-methylacetamide is sourced from PubChem (CID 66018193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).