N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C19H17ClFN7 — CID 134439986

IUPACN-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3Cl)ncn2)n1
InChIInChI=1S/C19H17ClFN7/c1-11-8-12(2)28(25-11)16-9-15(22-10-23-16)24-19-17(20)18(27(3)26-19)13-4-6-14(21)7-5-13/h4-10H,1-3H3,(H,22,23,24,26)
InChIKeyFVJXRAHGNOGIRO-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.22
Rot. Bonds4

About N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 134439986) has the molecular formula C19H17ClFN7 and a molecular weight of 397.85 g/mol. Its IUPAC name is N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID134439986
Molecular FormulaC19H17ClFN7
Molecular Weight397.85 g/mol
Exact Mass397.12
IUPAC NameN-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3Cl)ncn2)n1
InChIInChI=1S/C19H17ClFN7/c1-11-8-12(2)28(25-11)16-9-15(22-10-23-16)24-19-17(20)18(27(3)26-19)13-4-6-14(21)7-5-13/h4-10H,1-3H3,(H,22,23,24,26)
InChIKeyFVJXRAHGNOGIRO-UHFFFAOYSA-N
XLogP4.22
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434
Arylpyrazole, 20
CID 44143420
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 134439986) is N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3Cl)ncn2)n1.
What is the InChIKey of N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is FVJXRAHGNOGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN7/c1-11-8-12(2)28(25-11)16-9-15(22-10-23-16)24-19-17(20)18(27(3)26-19)13-4-6-14(21)7-5-13/h4-10H,1-3H3,(H,22,23,24,26).
What are the key properties of N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 397.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134439986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).