1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid

C10H13N5O2 — CID 79778807

IUPAC1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(Nc2ccn(C)n2)c1C(=O)O
InChIInChI=1S/C10H13N5O2/c1-6-8(10(16)17)9(15(3)12-6)11-7-4-5-14(2)13-7/h4-5H,1-3H3,(H,11,13)(H,16,17)
InChIKeyIZLVJEHGZYJAQI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.90
Rot. Bonds3

About 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid

1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid (PubChem CID 79778807) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid
PubChem CID79778807
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(Nc2ccn(C)n2)c1C(=O)O
InChIInChI=1S/C10H13N5O2/c1-6-8(10(16)17)9(15(3)12-6)11-7-4-5-14(2)13-7/h4-5H,1-3H3,(H,11,13)(H,16,17)
InChIKeyIZLVJEHGZYJAQI-UHFFFAOYSA-N
XLogP0.90
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570340
5-(ethoxycarbonylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110479357
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 114140001
5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110478911
1,3-dimethyl-5-(prop-2-ynylamino)pyrazole-4-carboxylic acid
CID 63758259
5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241149
5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55242302
5-[1-(2-chlorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63758433
3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid
CID 139663963
3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 105382475
5-[(3-chlorophenyl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63757585
1,3-dimethyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazole-4-carboxylic acid
CID 63756912

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid (CID 79778807) is 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid is Cc1nn(C)c(Nc2ccn(C)n2)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid?
The InChIKey is IZLVJEHGZYJAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-8(10(16)17)9(15(3)12-6)11-7-4-5-14(2)13-7/h4-5H,1-3H3,(H,11,13)(H,16,17).
What are the key properties of 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 79778807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).