4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide

C18H26N4O4 — CID 120559352

IUPAC4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCOc1ccc(Cn2nccc2NC(=O)CCC(C)N)c(OC)c1OC
InChIInChI=1S/C18H26N4O4/c1-12(19)5-8-16(23)21-15-9-10-20-22(15)11-13-6-7-14(24-2)18(26-4)17(13)25-3/h6-7,9-10,12H,5,8,11,19H2,1-4H3,(H,21,23)
InChIKeyOOTYICMITKZFFE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.02
Rot. Bonds9

About 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide

4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide (PubChem CID 120559352) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
PubChem CID120559352
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCOc1ccc(Cn2nccc2NC(=O)CCC(C)N)c(OC)c1OC
InChIInChI=1S/C18H26N4O4/c1-12(19)5-8-16(23)21-15-9-10-20-22(15)11-13-6-7-14(24-2)18(26-4)17(13)25-3/h6-7,9-10,12H,5,8,11,19H2,1-4H3,(H,21,23)
InChIKeyOOTYICMITKZFFE-UHFFFAOYSA-N
XLogP2.02
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 155909327
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
CID 55687161
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide (CID 120559352) is 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide is COc1ccc(Cn2nccc2NC(=O)CCC(C)N)c(OC)c1OC.
What is the InChIKey of 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The InChIKey is OOTYICMITKZFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(19)5-8-16(23)21-15-9-10-20-22(15)11-13-6-7-14(24-2)18(26-4)17(13)25-3/h6-7,9-10,12H,5,8,11,19H2,1-4H3,(H,21,23).
What are the key properties of 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide has a molecular weight of 362.43 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 120559352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).