5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide

C12H21N5O — CID 103007240

IUPAC5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCCc2ccnn2C)CN1
InChIInChI=1S/C12H21N5O/c1-9-7-15-11(8-14-9)12(18)13-5-3-10-4-6-16-17(10)2/h4,6,9,11,14-15H,3,5,7-8H2,1-2H3,(H,13,18)
InChIKeyQTHSDBFXKZZVEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.97
Rot. Bonds4

About 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide

5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide (PubChem CID 103007240) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
PubChem CID103007240
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCCc2ccnn2C)CN1
InChIInChI=1S/C12H21N5O/c1-9-7-15-11(8-14-9)12(18)13-5-3-10-4-6-16-17(10)2/h4,6,9,11,14-15H,3,5,7-8H2,1-2H3,(H,13,18)
InChIKeyQTHSDBFXKZZVEO-UHFFFAOYSA-N
XLogP-0.97
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
3-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 104693320
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 156605985
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 103006585

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide (CID 103007240) is 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide is CC1CNC(C(=O)NCCc2ccnn2C)CN1.
What is the InChIKey of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is QTHSDBFXKZZVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-7-15-11(8-14-9)12(18)13-5-3-10-4-6-16-17(10)2/h4,6,9,11,14-15H,3,5,7-8H2,1-2H3,(H,13,18).
What are the key properties of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide?
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 103007240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).