2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H21ClN4O2 — CID 162663332

IUPAC2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc3c(Cl)c(C(C)(C)C)nn3c2C)c1
InChIInChI=1S/C19H21ClN4O2/c1-11-14(18(25)22-12-7-6-8-13(9-12)26-5)10-21-17-15(20)16(19(2,3)4)23-24(11)17/h6-10H,1-5H3,(H,22,25)
InChIKeyGPCNUEVCRBYKCY-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.25
Rot. Bonds3

About 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 162663332) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID162663332
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc3c(Cl)c(C(C)(C)C)nn3c2C)c1
InChIInChI=1S/C19H21ClN4O2/c1-11-14(18(25)22-12-7-6-8-13(9-12)26-5)10-21-17-15(20)16(19(2,3)4)23-24(11)17/h6-10H,1-5H3,(H,22,25)
InChIKeyGPCNUEVCRBYKCY-UHFFFAOYSA-N
XLogP4.25
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 162663332) is 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccc(NC(=O)c2cnc3c(Cl)c(C(C)(C)C)nn3c2C)c1.
What is the InChIKey of 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GPCNUEVCRBYKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-11-14(18(25)22-12-7-6-8-13(9-12)26-5)10-21-17-15(20)16(19(2,3)4)23-24(11)17/h6-10H,1-5H3,(H,22,25).
What are the key properties of 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 162663332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).