4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid

C8H7ClN4O2 — CID 19618549

IUPAC4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cn2cccn2)cc1Cl
InChIInChI=1S/C8H7ClN4O2/c9-6-4-13(11-7(6)8(14)15)5-12-3-1-2-10-12/h1-4H,5H2,(H,14,15)
InChIKeyVVYFVYPPRVLBSG-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.94
Rot. Bonds3

About 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid

4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 19618549) has the molecular formula C8H7ClN4O2 and a molecular weight of 226.62 g/mol. Its IUPAC name is 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID19618549
Molecular FormulaC8H7ClN4O2
Molecular Weight226.62 g/mol
Exact Mass226.03
IUPAC Name4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cn2cccn2)cc1Cl
InChIInChI=1S/C8H7ClN4O2/c9-6-4-13(11-7(6)8(14)15)5-12-3-1-2-10-12/h1-4H,5H2,(H,14,15)
InChIKeyVVYFVYPPRVLBSG-UHFFFAOYSA-N
XLogP0.94
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 155291531
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid
CID 19614739
4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017348
4-chloro-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618768
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone
CID 19472404
4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618777
4-chloro-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618737
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
3-(pyrazol-1-ylmethyl)pyridine-2-carboxylic acid
CID 63073383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid (CID 19618549) is 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid is O=C(O)c1nn(Cn2cccn2)cc1Cl.
What is the InChIKey of 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is VVYFVYPPRVLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2/c9-6-4-13(11-7(6)8(14)15)5-12-3-1-2-10-12/h1-4H,5H2,(H,14,15).
What are the key properties of 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid?
4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 226.62 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19618549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).