2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide

C15H15N5O — CID 63868237

IUPAC2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccnc3ccccc23)cn1
InChIInChI=1S/C15H15N5O/c16-15(21)10-20-9-12(8-19-20)18-7-11-5-6-17-14-4-2-1-3-13(11)14/h1-6,8-9,18H,7,10H2,(H2,16,21)
InChIKeyFZUNTDPGPWDBHC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.53
Rot. Bonds5

About 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide

2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide (PubChem CID 63868237) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
PubChem CID63868237
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccnc3ccccc23)cn1
InChIInChI=1S/C15H15N5O/c16-15(21)10-20-9-12(8-19-20)18-7-11-5-6-17-14-4-2-1-3-13(11)14/h1-6,8-9,18H,7,10H2,(H2,16,21)
InChIKeyFZUNTDPGPWDBHC-UHFFFAOYSA-N
XLogP1.53
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]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-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 43695077
N-(quinolin-4-ylmethyl)aniline
CID 57199115
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 61263067
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43783591
2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695324
2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 146124735

Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide (CID 63868237) is 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2ccnc3ccccc23)cn1.
What is the InChIKey of 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide?
The InChIKey is FZUNTDPGPWDBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-15(21)10-20-9-12(8-19-20)18-7-11-5-6-17-14-4-2-1-3-13(11)14/h1-6,8-9,18H,7,10H2,(H2,16,21).
What are the key properties of 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide?
2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 63868237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).