3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid

C11H12N6O5 — CID 45028387

IUPAC3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(NC(=O)Nc2cc(C(=O)O)n(C)n2)cc1C(=O)O
InChIInChI=1S/C11H12N6O5/c1-16-5(9(18)19)3-7(14-16)12-11(22)13-8-4-6(10(20)21)17(2)15-8/h3-4H,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,22)
InChIKeyIPPGHTBBIBEXFW-UHFFFAOYSA-N
MW308.25 g/mol
LogP0.19
Rot. Bonds4

About 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid

3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 45028387) has the molecular formula C11H12N6O5 and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID45028387
Molecular FormulaC11H12N6O5
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(NC(=O)Nc2cc(C(=O)O)n(C)n2)cc1C(=O)O
InChIInChI=1S/C11H12N6O5/c1-16-5(9(18)19)3-7(14-16)12-11(22)13-8-4-6(10(20)21)17(2)15-8/h3-4H,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,22)
InChIKeyIPPGHTBBIBEXFW-UHFFFAOYSA-N
XLogP0.19
TPSA151.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
CID 5325687
5-amino-1-methyl-1H-pyrazole-3-carboxylic acid
CID 5325688
3-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 14488340
5-(((tert-butoxy)carbonyl)amino)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 84018375
7-amino-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136257497
1H-Pyrazole-5-carboxylic acid,3'-(carbonyldiimino)bis-[1-methyl-, bis methyl ester
CID 45028386
3-{[(tert-butoxy)carbonyl]amino}-1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid
CID 165893269
1-(2,2-difluoroethyl)-3-acetamido-1H-pyrazole-5-carboxylic acid
CID 165907488
1-ethyl-3-(2,2,2-trifluoroacetamido)-1H-pyrazole-5-carboxylic acid
CID 165909802
1-(propan-2-yl)-5-(2,2,2-trifluoroacetamido)-1H-pyrazole-3-carboxylic acid
CID 165917960
1-cyclopentyl-3-(2,2,2-trifluoroacetamido)-1H-pyrazole-5-carboxylic acid
CID 165933979
1-propyl-3-(2,2,2-trifluoroacetamido)-1H-pyrazole-5-carboxylic acid
CID 165936694

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid (CID 45028387) is 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid is Cn1nc(NC(=O)Nc2cc(C(=O)O)n(C)n2)cc1C(=O)O.
What is the InChIKey of 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is IPPGHTBBIBEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O5/c1-16-5(9(18)19)3-7(14-16)12-11(22)13-8-4-6(10(20)21)17(2)15-8/h3-4H,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,22).
What are the key properties of 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid?
3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 308.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 45028387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).