N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H10F4N6O — CID 19440184

IUPACN-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1)c1cc2ncccn2n1
InChIInChI=1S/C17H10F4N6O/c18-11-4-12(19)16(21)15(20)10(11)8-26-7-9(6-23-26)24-17(28)13-5-14-22-2-1-3-27(14)25-13/h1-7H,8H2,(H,24,28)
InChIKeyNFKJWTXVCWLJSB-UHFFFAOYSA-N
MW390.30 g/mol
LogP2.78
Rot. Bonds4

About N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440184) has the molecular formula C17H10F4N6O and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440184
Molecular FormulaC17H10F4N6O
Molecular Weight390.30 g/mol
Exact Mass390.09
IUPAC NameN-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1)c1cc2ncccn2n1
InChIInChI=1S/C17H10F4N6O/c18-11-4-12(19)16(21)15(20)10(11)8-26-7-9(6-23-26)24-17(28)13-5-14-22-2-1-3-27(14)25-13/h1-7H,8H2,(H,24,28)
InChIKeyNFKJWTXVCWLJSB-UHFFFAOYSA-N
XLogP2.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416844
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
3,4-dimethoxy-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19408001
4-chloro-1,3-dimethyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476990
1-[(4-propan-2-ylphenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275945
3-(4-chloropyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19539553
2,5-dimethyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407997
5-(3,4-dimethylphenyl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408043
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19406354
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440184) is N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1)c1cc2ncccn2n1.
What is the InChIKey of N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NFKJWTXVCWLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6O/c18-11-4-12(19)16(21)15(20)10(11)8-26-7-9(6-23-26)24-17(28)13-5-14-22-2-1-3-27(14)25-13/h1-7H,8H2,(H,24,28).
What are the key properties of N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).