6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C14H9ClFN3O2 — CID 59822824

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(Cc3ccc(F)c(Cl)c3)cnc12
InChIInChI=1S/C14H9ClFN3O2/c15-11-4-8(1-2-12(11)16)3-9-5-17-13-10(14(20)21)6-18-19(13)7-9/h1-2,4-7H,3H2,(H,20,21)
InChIKeyMAIHYFWUYZIYRA-UHFFFAOYSA-N
MW305.70 g/mol
LogP2.81
Rot. Bonds3

About 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 59822824) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID59822824
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(Cc3ccc(F)c(Cl)c3)cnc12
InChIInChI=1S/C14H9ClFN3O2/c15-11-4-8(1-2-12(11)16)3-9-5-17-13-10(14(20)21)6-18-19(13)7-9/h1-2,4-7H,3H2,(H,20,21)
InChIKeyMAIHYFWUYZIYRA-UHFFFAOYSA-N
XLogP2.81
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,4-dichlorophenyl)methyl]-N-(2-methylsulfinylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 25072470
4-[(3-chloro-4-fluorophenyl)methyl]benzoic acid
CID 116927199
6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 58056251
4-[(4-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid
CID 19980721
N-(2-aminoethyl)-6-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171927584
1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 59822838
6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83917493
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
4-benzyl-2-chlorobenzoic acid
CID 150746352
5-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-1-methylpyrazole-4-carboxylic acid
CID 116632557
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 114012248
1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 103038432

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 59822824) is 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(Cc3ccc(F)c(Cl)c3)cnc12.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MAIHYFWUYZIYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c15-11-4-8(1-2-12(11)16)3-9-5-17-13-10(14(20)21)6-18-19(13)7-9/h1-2,4-7H,3H2,(H,20,21).
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 305.70 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 59822824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).