5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid

C12H15N5O2 — CID 122053074

IUPAC5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(CNc1cnc(C(=O)O)cn1)Cn1cccn1
InChIInChI=1S/C12H15N5O2/c1-9(8-17-4-2-3-16-17)5-14-11-7-13-10(6-15-11)12(18)19/h2-4,6-7,9H,5,8H2,1H3,(H,14,15)(H,18,19)
InChIKeyMYYZMVLCKGSOBL-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.12
Rot. Bonds6

About 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid

5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 122053074) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
PubChem CID122053074
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(CNc1cnc(C(=O)O)cn1)Cn1cccn1
InChIInChI=1S/C12H15N5O2/c1-9(8-17-4-2-3-16-17)5-14-11-7-13-10(6-15-11)12(18)19/h2-4,6-7,9H,5,8H2,1H3,(H,14,15)(H,18,19)
InChIKeyMYYZMVLCKGSOBL-UHFFFAOYSA-N
XLogP1.12
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
CID 97119017
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047756
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 129320693
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047957
5-[2-(2-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048266
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid (CID 122053074) is 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid is CC(CNc1cnc(C(=O)O)cn1)Cn1cccn1.
What is the InChIKey of 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is MYYZMVLCKGSOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(8-17-4-2-3-16-17)5-14-11-7-13-10(6-15-11)12(18)19/h2-4,6-7,9H,5,8H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid?
5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).