N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide

C15H20N4O2 — CID 66418036

IUPACN-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
SMILESCOCCn1cc(NCc2ccccc2NC(C)=O)cn1
InChIInChI=1S/C15H20N4O2/c1-12(20)18-15-6-4-3-5-13(15)9-16-14-10-17-19(11-14)7-8-21-2/h3-6,10-11,16H,7-9H2,1-2H3,(H,18,20)
InChIKeyBTJGWQVHVIQXER-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.10
Rot. Bonds7

About N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide

N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 66418036) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
PubChem CID66418036
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
SMILESCOCCn1cc(NCc2ccccc2NC(C)=O)cn1
InChIInChI=1S/C15H20N4O2/c1-12(20)18-15-6-4-3-5-13(15)9-16-14-10-17-19(11-14)7-8-21-2/h3-6,10-11,16H,7-9H2,1-2H3,(H,18,20)
InChIKeyBTJGWQVHVIQXER-UHFFFAOYSA-N
XLogP2.10
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide (CID 66418036) is N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide is COCCn1cc(NCc2ccccc2NC(C)=O)cn1.
What is the InChIKey of N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is BTJGWQVHVIQXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12(20)18-15-6-4-3-5-13(15)9-16-14-10-17-19(11-14)7-8-21-2/h3-6,10-11,16H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide?
N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 66418036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).