3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

C10H12N4O2 — CID 3163611

IUPAC3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H12N4O2/c1-5-9(6(2)14(3)13-5)7-4-8(10(15)16)12-11-7/h4H,1-3H3,(H,11,12)(H,15,16)
InChIKeyVVLHPIDKUGTZRK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.13
Rot. Bonds2

About 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 3163611) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID3163611
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H12N4O2/c1-5-9(6(2)14(3)13-5)7-4-8(10(15)16)12-11-7/h4H,1-3H3,(H,11,12)(H,15,16)
InChIKeyVVLHPIDKUGTZRK-UHFFFAOYSA-N
XLogP1.13
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3161119
3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 6498679
1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 7537625
3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid
CID 3159715
5-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3159716
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 3163612
5-(4-Fluorophenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 6484191
3',5'-dimethyl-1'-(prop-2-en-1-yl)-1H,1'H-[3,4'-bipyrazole]-5-carboxylic acid
CID 6485182
3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carboxylic acid
CID 664981
methyl 3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carboxylate
CID 1263758
5-(1H-pyrrol-3-yl)-1H-pyrazole-3-carboxylic acid
CID 136327238

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 3163611) is 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is Cc1nn(C)c(C)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VVLHPIDKUGTZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5-9(6(2)14(3)13-5)7-4-8(10(15)16)12-11-7/h4H,1-3H3,(H,11,12)(H,15,16).
What are the key properties of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3163611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).