2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C10H10ClN3O3 — CID 118540140

IUPAC2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12
InChIInChI=1S/C10H10ClN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKeyWQWUFYGKJQHKJL-YFKPBYRVSA-N
MW255.66 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 118540140) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID118540140
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12
InChIInChI=1S/C10H10ClN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKeyWQWUFYGKJQHKJL-YFKPBYRVSA-N
XLogP1.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 118540140) is 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12.
What is the InChIKey of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is WQWUFYGKJQHKJL-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1.
What are the key properties of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118540140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).