3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C18H17ClN4O3 — CID 56721648

IUPAC3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(-c3ccccc3CN3CCOCC3)cnc2c1Cl
InChIInChI=1S/C18H17ClN4O3/c19-15-16(18(24)25)21-23-11-13(9-20-17(15)23)14-4-2-1-3-12(14)10-22-5-7-26-8-6-22/h1-4,9,11H,5-8,10H2,(H,24,25)
InChIKeyCZIBNHDCBPRQRB-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.58
Rot. Bonds4

About 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 56721648) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID56721648
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(-c3ccccc3CN3CCOCC3)cnc2c1Cl
InChIInChI=1S/C18H17ClN4O3/c19-15-16(18(24)25)21-23-11-13(9-20-17(15)23)14-4-2-1-3-12(14)10-22-5-7-26-8-6-22/h1-4,9,11H,5-8,10H2,(H,24,25)
InChIKeyCZIBNHDCBPRQRB-UHFFFAOYSA-N
XLogP2.58
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 56721648) is 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nn2cc(-c3ccccc3CN3CCOCC3)cnc2c1Cl.
What is the InChIKey of 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is CZIBNHDCBPRQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-15-16(18(24)25)21-23-11-13(9-20-17(15)23)14-4-2-1-3-12(14)10-22-5-7-26-8-6-22/h1-4,9,11H,5-8,10H2,(H,24,25).
What are the key properties of 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 372.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 56721648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).