trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C16H19N3O — CID 35521014

IUPACtrans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1nccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-19-13(8-9-18-19)11-17-16(20)15-10-14(15)12-6-4-3-5-7-12/h3-9,14-15H,2,10-11H2,1H3,(H,17,20)/t14-,15+/m1/s1
InChIKeyGNWMGWNCAVAOMN-CABCVRRESA-N
MW269.35 g/mol
LogP2.32
Rot. Bonds5

About trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 35521014) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID35521014
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Nametrans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1nccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-19-13(8-9-18-19)11-17-16(20)15-10-14(15)12-6-4-3-5-7-12/h3-9,14-15H,2,10-11H2,1H3,(H,17,20)/t14-,15+/m1/s1
InChIKeyGNWMGWNCAVAOMN-CABCVRRESA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521016
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 19323161
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620316
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 35521014) is trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide is CCn1nccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GNWMGWNCAVAOMN-CABCVRRESA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19-13(8-9-18-19)11-17-16(20)15-10-14(15)12-6-4-3-5-7-12/h3-9,14-15H,2,10-11H2,1H3,(H,17,20)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 35521014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).