N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide

C12H21N5O — CID 71877042

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(C)n1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16(4)14-9)13-12(18)17-6-5-15(3)8-10(17)2/h7,10H,5-6,8H2,1-4H3,(H,13,18)
InChIKeyOCXDRDQDANZQBD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.90
Rot. Bonds1

About N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877042) 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-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877042
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(C)n1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16(4)14-9)13-12(18)17-6-5-15(3)8-10(17)2/h7,10H,5-6,8H2,1-4H3,(H,13,18)
InChIKeyOCXDRDQDANZQBD-UHFFFAOYSA-N
XLogP0.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide (CID 71877042) is N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C)CC2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is OCXDRDQDANZQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-7-11(16(4)14-9)13-12(18)17-6-5-15(3)8-10(17)2/h7,10H,5-6,8H2,1-4H3,(H,13,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).