2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid

C13H21N5O3 — CID 61439912

IUPAC2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid
SMILESCN(Cc1cnn(C)c1)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H21N5O3/c1-15(8-11-7-14-16(2)9-11)13(21)18-5-3-17(4-6-18)10-12(19)20/h7,9H,3-6,8,10H2,1-2H3,(H,19,20)
InChIKeyCVKMSSNCZGBJIJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.33
Rot. Bonds4

About 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid

2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61439912) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61439912
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid
SMILESCN(Cc1cnn(C)c1)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H21N5O3/c1-15(8-11-7-14-16(2)9-11)13(21)18-5-3-17(4-6-18)10-12(19)20/h7,9H,3-6,8,10H2,1-2H3,(H,19,20)
InChIKeyCVKMSSNCZGBJIJ-UHFFFAOYSA-N
XLogP-0.33
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 56802643
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905115
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166202

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid (CID 61439912) is 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid is CN(Cc1cnn(C)c1)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is CVKMSSNCZGBJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-15(8-11-7-14-16(2)9-11)13(21)18-5-3-17(4-6-18)10-12(19)20/h7,9H,3-6,8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61439912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).