N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide

C16H19N3O — CID 35955520

IUPACN-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)C1CCC1
InChIInChI=1S/C16H19N3O/c20-16(13-7-3-8-13)17-11-14-5-1-2-6-15(14)12-19-10-4-9-18-19/h1-2,4-6,9-10,13H,3,7-8,11-12H2,(H,17,20)
InChIKeyJXAPBJIOLFAUSH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.35
Rot. Bonds5

About N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide (PubChem CID 35955520) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
PubChem CID35955520
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)C1CCC1
InChIInChI=1S/C16H19N3O/c20-16(13-7-3-8-13)17-11-14-5-1-2-6-15(14)12-19-10-4-9-18-19/h1-2,4-6,9-10,13H,3,7-8,11-12H2,(H,17,20)
InChIKeyJXAPBJIOLFAUSH-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide 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

(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 155505277
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 51305841
(9S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125169365
(3R)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 34583956
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 86883256
(3R,6S)-6-amino-1-(oxan-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azepane-3-carboxamide
CID 165423026
N-[3-[[[ethylamino-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111850648
cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide (CID 35955520) is N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide is O=C(NCc1ccccc1Cn1cccn1)C1CCC1.
What is the InChIKey of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide?
The InChIKey is JXAPBJIOLFAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-7-3-8-13)17-11-14-5-1-2-6-15(14)12-19-10-4-9-18-19/h1-2,4-6,9-10,13H,3,7-8,11-12H2,(H,17,20).
What are the key properties of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide?
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 35955520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).