N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide

C12H21N5O — CID 112669965

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CNC(C)CN1
InChIInChI=1S/C12H21N5O/c1-8-4-14-11(6-13-8)12(18)15-5-10-7-17(3)16-9(10)2/h7-8,11,13-14H,4-6H2,1-3H3,(H,15,18)
InChIKeyFUTAWSISPMYCLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.71
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide (PubChem CID 112669965) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide
PubChem CID112669965
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CNC(C)CN1
InChIInChI=1S/C12H21N5O/c1-8-4-14-11(6-13-8)12(18)15-5-10-7-17(3)16-9(10)2/h7-8,11,13-14H,4-6H2,1-3H3,(H,15,18)
InChIKeyFUTAWSISPMYCLC-UHFFFAOYSA-N
XLogP-0.71
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 115989984
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437463
(1R,2S,3S,4R)-3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124717628
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 112669577
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
CID 103007240
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
CID 112670222
(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155498362
4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 120955108

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide (CID 112669965) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide is Cc1nn(C)cc1CNC(=O)C1CNC(C)CN1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide?
The InChIKey is FUTAWSISPMYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-4-14-11(6-13-8)12(18)15-5-10-7-17(3)16-9(10)2/h7-8,11,13-14H,4-6H2,1-3H3,(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 112669965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).