5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid

C12H15N5O2 — CID 122058004

IUPAC5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid
SMILESCC(Cc1cnn(C)c1)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H15N5O2/c1-8(3-9-4-15-17(2)7-9)16-11-6-13-10(5-14-11)12(18)19/h4-8H,3H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyMBDCCANECYWCSR-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.95
Rot. Bonds5

About 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid

5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid (PubChem CID 122058004) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid
PubChem CID122058004
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid
SMILESCC(Cc1cnn(C)c1)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H15N5O2/c1-8(3-9-4-15-17(2)7-9)16-11-6-13-10(5-14-11)12(18)19/h4-8H,3H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyMBDCCANECYWCSR-UHFFFAOYSA-N
XLogP0.95
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122053579
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
CID 29061487

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid (CID 122058004) is 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid is CC(Cc1cnn(C)c1)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid?
The InChIKey is MBDCCANECYWCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(3-9-4-15-17(2)7-9)16-11-6-13-10(5-14-11)12(18)19/h4-8H,3H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid?
5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).