4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine

C19H15ClF2N6 — CID 159903453

IUPAC4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(Cc3[nH]nc(-c4ccc(F)cc4F)c3Cl)ncn2)n1
InChIInChI=1S/C19H15ClF2N6/c1-10-5-11(2)28(27-10)17-8-13(23-9-24-17)7-16-18(20)19(26-25-16)14-4-3-12(21)6-15(14)22/h3-6,8-9H,7H2,1-2H3,(H,25,26)
InChIKeyNWGJHQRWDARRDB-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.19
Rot. Bonds4

About 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine

4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 159903453) has the molecular formula C19H15ClF2N6 and a molecular weight of 400.82 g/mol. Its IUPAC name is 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID159903453
Molecular FormulaC19H15ClF2N6
Molecular Weight400.82 g/mol
Exact Mass400.10
IUPAC Name4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(Cc3[nH]nc(-c4ccc(F)cc4F)c3Cl)ncn2)n1
InChIInChI=1S/C19H15ClF2N6/c1-10-5-11(2)28(27-10)17-8-13(23-9-24-17)7-16-18(20)19(26-25-16)14-4-3-12(21)6-15(14)22/h3-6,8-9H,7H2,1-2H3,(H,25,26)
InChIKeyNWGJHQRWDARRDB-UHFFFAOYSA-N
XLogP4.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine (CID 159903453) is 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1cc(C)n(-c2cc(Cc3[nH]nc(-c4ccc(F)cc4F)c3Cl)ncn2)n1.
What is the InChIKey of 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is NWGJHQRWDARRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N6/c1-10-5-11(2)28(27-10)17-8-13(23-9-24-17)7-16-18(20)19(26-25-16)14-4-3-12(21)6-15(14)22/h3-6,8-9H,7H2,1-2H3,(H,25,26).
What are the key properties of 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 400.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 159903453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).