4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine

C14H11ClFN5 — CID 102921984

IUPAC4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)c(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C14H11ClFN5/c1-21-14(17)12(10-3-2-9(16)4-11(10)15)13(20-21)8-5-18-7-19-6-8/h2-7H,17H2,1H3
InChIKeyMVJSQMABDZXXPF-UHFFFAOYSA-N
MW303.73 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine

4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (PubChem CID 102921984) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
PubChem CID102921984
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)c(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C14H11ClFN5/c1-21-14(17)12(10-3-2-9(16)4-11(10)15)13(20-21)8-5-18-7-19-6-8/h2-7H,17H2,1H3
InChIKeyMVJSQMABDZXXPF-UHFFFAOYSA-N
XLogP2.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 107962720
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921938
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
CID 66880474
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
CID 64560671
4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119586
4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 64561055

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (CID 102921984) is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is Cn1nc(-c2cncnc2)c(-c2ccc(F)cc2Cl)c1N.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The InChIKey is MVJSQMABDZXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c1-21-14(17)12(10-3-2-9(16)4-11(10)15)13(20-21)8-5-18-7-19-6-8/h2-7H,17H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine has a molecular weight of 303.73 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is sourced from PubChem (CID 102921984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).