4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol

C18H19ClN4O3 — CID 57166762

IUPAC4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2[nH]ncc2Nc2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C18H19ClN4O3/c1-25-15-6-11(7-16(26-2)17(15)24)9-20-18-14(10-21-23-18)22-13-5-3-4-12(19)8-13/h3-8,10,22,24H,9H2,1-2H3,(H2,20,21,23)
InChIKeyFYAGABCHUHZPBM-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.14
Rot. Bonds7

About 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol

4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol (PubChem CID 57166762) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
PubChem CID57166762
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2[nH]ncc2Nc2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C18H19ClN4O3/c1-25-15-6-11(7-16(26-2)17(15)24)9-20-18-14(10-21-23-18)22-13-5-3-4-12(19)8-13/h3-8,10,22,24H,9H2,1-2H3,(H2,20,21,23)
InChIKeyFYAGABCHUHZPBM-UHFFFAOYSA-N
XLogP4.14
TPSA91.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
CID 57071330
2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
CID 57263599
4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
CID 57295767
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
3-N-(3-chlorophenyl)-5-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112956342
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol (CID 57166762) is 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol is COc1cc(CNc2[nH]ncc2Nc2cccc(Cl)c2)cc(OC)c1O.
What is the InChIKey of 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is FYAGABCHUHZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-25-15-6-11(7-16(26-2)17(15)24)9-20-18-14(10-21-23-18)22-13-5-3-4-12(19)8-13/h3-8,10,22,24H,9H2,1-2H3,(H2,20,21,23).
What are the key properties of 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol?
4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 374.83 g/mol, XLogP of 4.14, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 57166762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).