N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine

C24H17Cl2F2N3 — CID 121397097

IUPACN-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1cc(Cl)cc2c1-c1ccccc1C2
InChIInChI=1S/C24H17Cl2F2N3/c1-12-21(24(31(2)30-12)29-23-19(27)10-16(26)11-20(23)28)18-9-15(25)8-14-7-13-5-3-4-6-17(13)22(14)18/h3-6,8-11,29H,7H2,1-2H3
InChIKeyGVUNIEJZMKLZRM-UHFFFAOYSA-N
MW456.32 g/mol
LogP7.30
Rot. Bonds3

About N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine

N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine (PubChem CID 121397097) has the molecular formula C24H17Cl2F2N3 and a molecular weight of 456.32 g/mol. Its IUPAC name is N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine
PubChem CID121397097
Molecular FormulaC24H17Cl2F2N3
Molecular Weight456.32 g/mol
Exact Mass455.08
IUPAC NameN-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1cc(Cl)cc2c1-c1ccccc1C2
InChIInChI=1S/C24H17Cl2F2N3/c1-12-21(24(31(2)30-12)29-23-19(27)10-16(26)11-20(23)28)18-9-15(25)8-14-7-13-5-3-4-6-17(13)22(14)18/h3-6,8-11,29H,7H2,1-2H3
InChIKeyGVUNIEJZMKLZRM-UHFFFAOYSA-N
XLogP7.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine (CID 121397097) is N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1cc(Cl)cc2c1-c1ccccc1C2.
What is the InChIKey of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is GVUNIEJZMKLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F2N3/c1-12-21(24(31(2)30-12)29-23-19(27)10-16(26)11-20(23)28)18-9-15(25)8-14-7-13-5-3-4-6-17(13)22(14)18/h3-6,8-11,29H,7H2,1-2H3.
What are the key properties of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine?
N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 456.32 g/mol, XLogP of 7.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-9H-fluoren-4-yl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 121397097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).