N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H18F2N6O2 — CID 146254861

IUPACN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3ccccc3cc2OC(F)F)n1
InChIInChI=1S/C23H18F2N6O2/c1-2-30-13-18(28-22(32)17-12-27-31-9-5-8-26-21(17)31)20(29-30)16-10-14-6-3-4-7-15(14)11-19(16)33-23(24)25/h3-13,23H,2H2,1H3,(H,28,32)
InChIKeyBYTPJEJNHCJJGP-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.62
Rot. Bonds6

About N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146254861) has the molecular formula C23H18F2N6O2 and a molecular weight of 448.43 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146254861
Molecular FormulaC23H18F2N6O2
Molecular Weight448.43 g/mol
Exact Mass448.15
IUPAC NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3ccccc3cc2OC(F)F)n1
InChIInChI=1S/C23H18F2N6O2/c1-2-30-13-18(28-22(32)17-12-27-31-9-5-8-26-21(17)31)20(29-30)16-10-14-6-3-4-7-15(14)11-19(16)33-23(24)25/h3-13,23H,2H2,1H3,(H,28,32)
InChIKeyBYTPJEJNHCJJGP-UHFFFAOYSA-N
XLogP4.62
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7-(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)-2-((3-fluorobenzyl)oxy)benzamide
CID 137636872
N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49856845
N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847152
N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137797033
US11155557, Example 30
CID 138753291
N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496955
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497481
N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-6-methoxy-2-methyl-3H-isoindol-1-one
CID 102593934

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146254861) is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3ccccc3cc2OC(F)F)n1.
What is the InChIKey of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BYTPJEJNHCJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O2/c1-2-30-13-18(28-22(32)17-12-27-31-9-5-8-26-21(17)31)20(29-30)16-10-14-6-3-4-7-15(14)11-19(16)33-23(24)25/h3-13,23H,2H2,1H3,(H,28,32).
What are the key properties of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146254861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).