N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H26N4O2 — CID 35187912

IUPACN,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C24H26N4O2/c1-5-12-30-22-11-10-18-8-6-7-9-19(18)21(22)15-27(4)24(29)20-14-25-23-13-16(2)26-28(23)17(20)3/h6-11,13-14H,5,12,15H2,1-4H3
InChIKeyXZXPZYMHYDJKNU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.56
Rot. Bonds6

About N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 35187912) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID35187912
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C24H26N4O2/c1-5-12-30-22-11-10-18-8-6-7-9-19(18)21(22)15-27(4)24(29)20-14-25-23-13-16(2)26-28(23)17(20)3/h6-11,13-14H,5,12,15H2,1-4H3
InChIKeyXZXPZYMHYDJKNU-UHFFFAOYSA-N
XLogP4.56
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 35187912) is N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2cc(C)nn2c1C.
What is the InChIKey of N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XZXPZYMHYDJKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-5-12-30-22-11-10-18-8-6-7-9-19(18)21(22)15-27(4)24(29)20-14-25-23-13-16(2)26-28(23)17(20)3/h6-11,13-14H,5,12,15H2,1-4H3.
What are the key properties of N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 35187912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).