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

C19H15ClF3N7O — CID 134440106

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3n[nH]c(-c4ccc(F)cc4)c3OC(F)F)ncn2)c(C)c1Cl
InChIInChI=1S/C19H15ClF3N7O/c1-9-15(20)10(2)30(29-9)14-7-13(24-8-25-14)26-18-17(31-19(22)23)16(27-28-18)11-3-5-12(21)6-4-11/h3-8,19H,1-2H3,(H2,24,25,26,27,28)
InChIKeyZJOSMHYONLCINK-UHFFFAOYSA-N
MW449.82 g/mol
LogP4.81
Rot. Bonds6

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

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 134440106) has the molecular formula C19H15ClF3N7O and a molecular weight of 449.82 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID134440106
Molecular FormulaC19H15ClF3N7O
Molecular Weight449.82 g/mol
Exact Mass449.10
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3n[nH]c(-c4ccc(F)cc4)c3OC(F)F)ncn2)c(C)c1Cl
InChIInChI=1S/C19H15ClF3N7O/c1-9-15(20)10(2)30(29-9)14-7-13(24-8-25-14)26-18-17(31-19(22)23)16(27-28-18)11-3-5-12(21)6-4-11/h3-8,19H,1-2H3,(H2,24,25,26,27,28)
InChIKeyZJOSMHYONLCINK-UHFFFAOYSA-N
XLogP4.81
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.82
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 134440106) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine is Cc1nn(-c2cc(Nc3n[nH]c(-c4ccc(F)cc4)c3OC(F)F)ncn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is ZJOSMHYONLCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N7O/c1-9-15(20)10(2)30(29-9)14-7-13(24-8-25-14)26-18-17(31-19(22)23)16(27-28-18)11-3-5-12(21)6-4-11/h3-8,19H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 449.82 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).