2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

C16H20N4O — CID 79843343

IUPAC2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESNC1(CC(=O)Nc2ccccc2Cn2cccn2)CCC1
InChIInChI=1S/C16H20N4O/c17-16(7-3-8-16)11-15(21)19-14-6-2-1-5-13(14)12-20-10-4-9-18-20/h1-2,4-6,9-10H,3,7-8,11-12,17H2,(H,19,21)
InChIKeyPRUXDZZKJFENMI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.14
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 79843343) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID79843343
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESNC1(CC(=O)Nc2ccccc2Cn2cccn2)CCC1
InChIInChI=1S/C16H20N4O/c17-16(7-3-8-16)11-15(21)19-14-6-2-1-5-13(14)12-20-10-4-9-18-20/h1-2,4-6,9-10H,3,7-8,11-12,17H2,(H,19,21)
InChIKeyPRUXDZZKJFENMI-UHFFFAOYSA-N
XLogP2.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643149
2-(1-aminocyclobutyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 79851029
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 51659294
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43068795
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687600
(E)-4-oxo-4-[2-(pyrazol-1-ylmethyl)anilino]but-2-enoic acid
CID 60941126
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 79843343) is 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is NC1(CC(=O)Nc2ccccc2Cn2cccn2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is PRUXDZZKJFENMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(7-3-8-16)11-15(21)19-14-6-2-1-5-13(14)12-20-10-4-9-18-20/h1-2,4-6,9-10H,3,7-8,11-12,17H2,(H,19,21).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 79843343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).