N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide

C12H21N5O — CID 36799947

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C)CC2)n(C)n1
InChIInChI=1S/C12H21N5O/c1-10-8-11(16(3)14-10)13-12(18)9-17-6-4-15(2)5-7-17/h8H,4-7,9H2,1-3H3,(H,13,18)
InChIKeyZJOGBDPOBVAWEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.09
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 36799947) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID36799947
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C)CC2)n(C)n1
InChIInChI=1S/C12H21N5O/c1-10-8-11(16(3)14-10)13-12(18)9-17-6-4-15(2)5-7-17/h8H,4-7,9H2,1-3H3,(H,13,18)
InChIKeyZJOGBDPOBVAWEO-UHFFFAOYSA-N
XLogP-0.09
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 36799947) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C)CC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is ZJOGBDPOBVAWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-8-11(16(3)14-10)13-12(18)9-17-6-4-15(2)5-7-17/h8H,4-7,9H2,1-3H3,(H,13,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 36799947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).