2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol

C19H18ClF2N3O — CID 56707974

IUPAC2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol
SMILESCc1c(C(C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C19H18ClF2N3O/c1-11(23-9-13-3-6-19(26)16(20)7-13)15-10-24-25(12(15)2)18-5-4-14(21)8-17(18)22/h3-8,10-11,23,26H,9H2,1-2H3
InChIKeyPCARLZZJTIKMPE-UHFFFAOYSA-N
MW377.82 g/mol
LogP4.67
Rot. Bonds5

About 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol

2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol (PubChem CID 56707974) has the molecular formula C19H18ClF2N3O and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol
PubChem CID56707974
Molecular FormulaC19H18ClF2N3O
Molecular Weight377.82 g/mol
Exact Mass377.11
IUPAC Name2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol
SMILESCc1c(C(C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C19H18ClF2N3O/c1-11(23-9-13-3-6-19(26)16(20)7-13)15-10-24-25(12(15)2)18-5-4-14(21)8-17(18)22/h3-8,10-11,23,26H,9H2,1-2H3
InChIKeyPCARLZZJTIKMPE-UHFFFAOYSA-N
XLogP4.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol (CID 56707974) is 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol is Cc1c(C(C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol?
The InChIKey is PCARLZZJTIKMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O/c1-11(23-9-13-3-6-19(26)16(20)7-13)15-10-24-25(12(15)2)18-5-4-14(21)8-17(18)22/h3-8,10-11,23,26H,9H2,1-2H3.
What are the key properties of 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol?
2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol has a molecular weight of 377.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol is sourced from PubChem (CID 56707974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).