6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C19H18ClN7 — CID 134440182

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3n[nH]c(-c4ccccc4)c3C)ncn2)c(C)c1Cl
InChIInChI=1S/C19H18ClN7/c1-11-18(14-7-5-4-6-8-14)24-25-19(11)23-15-9-16(22-10-21-15)27-13(3)17(20)12(2)26-27/h4-10H,1-3H3,(H2,21,22,23,24,25)
InChIKeyQROZMJMKHXSAGY-UHFFFAOYSA-N
MW379.86 g/mol
LogP4.37
Rot. Bonds4

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 134440182) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID134440182
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3n[nH]c(-c4ccccc4)c3C)ncn2)c(C)c1Cl
InChIInChI=1S/C19H18ClN7/c1-11-18(14-7-5-4-6-8-14)24-25-19(11)23-15-9-16(22-10-21-15)27-13(3)17(20)12(2)26-27/h4-10H,1-3H3,(H2,21,22,23,24,25)
InChIKeyQROZMJMKHXSAGY-UHFFFAOYSA-N
XLogP4.37
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 134440182) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1nn(-c2cc(Nc3n[nH]c(-c4ccccc4)c3C)ncn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is QROZMJMKHXSAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7/c1-11-18(14-7-5-4-6-8-14)24-25-19(11)23-15-9-16(22-10-21-15)27-13(3)17(20)12(2)26-27/h4-10H,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 379.86 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 134440182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).