3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide

C18H22N4O2 — CID 156608469

IUPAC3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC1C(NC(=O)c2[nH]nc(N)c2-c2ccccc2)C2CCOC12
InChIInChI=1S/C18H22N4O2/c1-2-11-14(12-8-9-24-16(11)12)20-18(23)15-13(17(19)22-21-15)10-6-4-3-5-7-10/h3-7,11-12,14,16H,2,8-9H2,1H3,(H,20,23)(H3,19,21,22)
InChIKeyGCHFWGRRFAOTDG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide

3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 156608469) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID156608469
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC1C(NC(=O)c2[nH]nc(N)c2-c2ccccc2)C2CCOC12
InChIInChI=1S/C18H22N4O2/c1-2-11-14(12-8-9-24-16(11)12)20-18(23)15-13(17(19)22-21-15)10-6-4-3-5-7-10/h3-7,11-12,14,16H,2,8-9H2,1H3,(H,20,23)(H3,19,21,22)
InChIKeyGCHFWGRRFAOTDG-UHFFFAOYSA-N
XLogP2.20
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide 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

methyl (2S,4S)-4-[(3-amino-4-phenyl-1H-pyrazole-5-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50948067
3-amino-N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 91769725
3-amino-N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 96405822
4,5-dimethyl-N-[oxolan-3-yl(phenyl)methyl]-1H-pyrazole-3-carboxamide
CID 127738817
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164629569
3-(2-fluorophenyl)-N-[7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 168453036
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 91768884
3-(2-fluorophenyl)-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91797906
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(2S,4R)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 50962779
4-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 25914852
4-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 25914854
4-Methyl-N-[3-(oxolan-3-YL)propyl]-5-phenyl-2H-pyrazole-3-carboxamide
CID 43818804

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide (CID 156608469) is 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide is CCC1C(NC(=O)c2[nH]nc(N)c2-c2ccccc2)C2CCOC12.
What is the InChIKey of 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GCHFWGRRFAOTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-11-14(12-8-9-24-16(11)12)20-18(23)15-13(17(19)22-21-15)10-6-4-3-5-7-10/h3-7,11-12,14,16H,2,8-9H2,1H3,(H,20,23)(H3,19,21,22).
What are the key properties of 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide?
3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 156608469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).