2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C21H23N3O2 — CID 137481206

IUPAC2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(-c3ccccc3)c(C3CC3)nn2c1C(C)C
InChIInChI=1S/C21H23N3O2/c1-4-15-18(21(25)26)22-20-16(13-8-6-5-7-9-13)17(14-10-11-14)23-24(20)19(15)12(2)3/h5-9,12,14H,4,10-11H2,1-3H3,(H,25,26)
InChIKeyLYKLKJBBTYDSKD-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.66
Rot. Bonds5

About 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481206) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481206
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(-c3ccccc3)c(C3CC3)nn2c1C(C)C
InChIInChI=1S/C21H23N3O2/c1-4-15-18(21(25)26)22-20-16(13-8-6-5-7-9-13)17(14-10-11-14)23-24(20)19(15)12(2)3/h5-9,12,14H,4,10-11H2,1-3H3,(H,25,26)
InChIKeyLYKLKJBBTYDSKD-UHFFFAOYSA-N
XLogP4.66
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481206) is 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCc1c(C(=O)O)nc2c(-c3ccccc3)c(C3CC3)nn2c1C(C)C.
What is the InChIKey of 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is LYKLKJBBTYDSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-15-18(21(25)26)22-20-16(13-8-6-5-7-9-13)17(14-10-11-14)23-24(20)19(15)12(2)3/h5-9,12,14H,4,10-11H2,1-3H3,(H,25,26).
What are the key properties of 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).