N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide

C12H17N5O — CID 19328913

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NCc2cc(C)n(C)n2)n1
InChIInChI=1S/C12H17N5O/c1-9-4-5-17(14-9)8-12(18)13-7-11-6-10(2)16(3)15-11/h4-6H,7-8H2,1-3H3,(H,13,18)
InChIKeyJYJIBOCXCILLIO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.55
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 19328913) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID19328913
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NCc2cc(C)n(C)n2)n1
InChIInChI=1S/C12H17N5O/c1-9-4-5-17(14-9)8-12(18)13-7-11-6-10(2)16(3)15-11/h4-6H,7-8H2,1-3H3,(H,13,18)
InChIKeyJYJIBOCXCILLIO-UHFFFAOYSA-N
XLogP0.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 19328913) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NCc2cc(C)n(C)n2)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is JYJIBOCXCILLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-4-5-17(14-9)8-12(18)13-7-11-6-10(2)16(3)15-11/h4-6H,7-8H2,1-3H3,(H,13,18).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19328913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).