2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide

C18H23ClN4O3 — CID 119110665

IUPAC2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNc2ccnn2C(C)C2CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H23ClN4O3/c1-11(13-3-4-13)23-17(5-6-22-23)21-9-12-7-14(19)18(15(8-12)25-2)26-10-16(20)24/h5-8,11,13,21H,3-4,9-10H2,1-2H3,(H2,20,24)
InChIKeyUXMCLPSBPYNELA-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.99
Rot. Bonds9

About 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide (PubChem CID 119110665) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide
PubChem CID119110665
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNc2ccnn2C(C)C2CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H23ClN4O3/c1-11(13-3-4-13)23-17(5-6-22-23)21-9-12-7-14(19)18(15(8-12)25-2)26-10-16(20)24/h5-8,11,13,21H,3-4,9-10H2,1-2H3,(H2,20,24)
InChIKeyUXMCLPSBPYNELA-UHFFFAOYSA-N
XLogP2.99
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide 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

2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
CID 119934631
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 119163902
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4714600
2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide chloride
CID 21233301
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide (CID 119110665) is 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide is COc1cc(CNc2ccnn2C(C)C2CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is UXMCLPSBPYNELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-11(13-3-4-13)23-17(5-6-22-23)21-9-12-7-14(19)18(15(8-12)25-2)26-10-16(20)24/h5-8,11,13,21H,3-4,9-10H2,1-2H3,(H2,20,24).
What are the key properties of 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 378.86 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 119110665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).