4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile

C16H15BrN4O2 — CID 166234556

IUPAC4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile
SMILESCCc1[nH]nc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1Br
InChIInChI=1S/C16H15BrN4O2/c1-2-13-14(17)15(20-19-13)16(22)21-8-12(9-21)23-11-5-3-10(7-18)4-6-11/h3-6,12H,2,8-9H2,1H3,(H,19,20)
InChIKeyAQYBBWBIDCIBNQ-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.51
Rot. Bonds4

About 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile

4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile (PubChem CID 166234556) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile
PubChem CID166234556
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile
SMILESCCc1[nH]nc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1Br
InChIInChI=1S/C16H15BrN4O2/c1-2-13-14(17)15(20-19-13)16(22)21-8-12(9-21)23-11-5-3-10(7-18)4-6-11/h3-6,12H,2,8-9H2,1H3,(H,19,20)
InChIKeyAQYBBWBIDCIBNQ-UHFFFAOYSA-N
XLogP2.51
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile 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

4-[1-(1,5-dimethylpyrrole-2-carbonyl)azetidin-3-yl]oxybenzonitrile
CID 86792894
[3-(4-nitrophenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 99825931
4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022820
4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
CID 86792878
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
(4-bromo-5-ethyl-1H-pyrazol-3-yl)-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 154805469
4-bromo-5-ethyl-1H-pyrazole-3-carboxamide
CID 130118792
4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
CID 97250074
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
CID 154880570
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
CID 99696787

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile?
The IUPAC name of 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile (CID 166234556) is 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile is CCc1[nH]nc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1Br.
What is the InChIKey of 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile?
The InChIKey is AQYBBWBIDCIBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-2-13-14(17)15(20-19-13)16(22)21-8-12(9-21)23-11-5-3-10(7-18)4-6-11/h3-6,12H,2,8-9H2,1H3,(H,19,20).
What are the key properties of 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile?
4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile has a molecular weight of 375.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-5-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxybenzonitrile is sourced from PubChem (CID 166234556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).