N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H11ClN4O2 — CID 4151656

IUPACN-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3cccnc23)cc1Cl
InChIInChI=1S/C14H11ClN4O2/c1-21-12-4-3-9(7-11(12)15)18-14(20)10-8-17-19-6-2-5-16-13(10)19/h2-8H,1H3,(H,18,20)
InChIKeyDIXCDKIJOTXFIW-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.64
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4151656) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4151656
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3cccnc23)cc1Cl
InChIInChI=1S/C14H11ClN4O2/c1-21-12-4-3-9(7-11(12)15)18-14(20)10-8-17-19-6-2-5-16-13(10)19/h2-8H,1H3,(H,18,20)
InChIKeyDIXCDKIJOTXFIW-UHFFFAOYSA-N
XLogP2.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4151656) is N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnn3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DIXCDKIJOTXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-21-12-4-3-9(7-11(12)15)18-14(20)10-8-17-19-6-2-5-16-13(10)19/h2-8H,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4151656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).