2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide

C14H14F2N4O2 — CID 137255592

IUPAC2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
SMILESCOc1cc(F)c(C(=O)Nc2cnn3c2NCCC3)c(F)c1
InChIInChI=1S/C14H14F2N4O2/c1-22-8-5-9(15)12(10(16)6-8)14(21)19-11-7-18-20-4-2-3-17-13(11)20/h5-7,17H,2-4H2,1H3,(H,19,21)
InChIKeyJRSALOXZRZYECM-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.24
Rot. Bonds3

About 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide

2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide (PubChem CID 137255592) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
PubChem CID137255592
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
SMILESCOc1cc(F)c(C(=O)Nc2cnn3c2NCCC3)c(F)c1
InChIInChI=1S/C14H14F2N4O2/c1-22-8-5-9(15)12(10(16)6-8)14(21)19-11-7-18-20-4-2-3-17-13(11)20/h5-7,17H,2-4H2,1H3,(H,19,21)
InChIKeyJRSALOXZRZYECM-UHFFFAOYSA-N
XLogP2.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 156586902
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
N-(4-chloro-3-fluorophenyl)-N'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)oxamide
CID 135923235
4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 137253253
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179
(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 114990495
N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2,6-difluoro-4-methoxybenzamide
CID 154780748
N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138014016
phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 135671358

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide (CID 137255592) is 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide is COc1cc(F)c(C(=O)Nc2cnn3c2NCCC3)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
The InChIKey is JRSALOXZRZYECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-22-8-5-9(15)12(10(16)6-8)14(21)19-11-7-18-20-4-2-3-17-13(11)20/h5-7,17H,2-4H2,1H3,(H,19,21).
What are the key properties of 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide has a molecular weight of 308.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 137255592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).