[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C13H14BrN5O — CID 126901258

IUPAC[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C13H14BrN5O/c14-9-4-15-19(5-9)10-6-18(7-10)13(20)12-3-11(16-17-12)8-1-2-8/h3-5,8,10H,1-2,6-7H2,(H,16,17)
InChIKeyMOXDLOPYKBMKIF-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.94
Rot. Bonds3

About [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 126901258) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID126901258
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C13H14BrN5O/c14-9-4-15-19(5-9)10-6-18(7-10)13(20)12-3-11(16-17-12)8-1-2-8/h3-5,8,10H,1-2,6-7H2,(H,16,17)
InChIKeyMOXDLOPYKBMKIF-UHFFFAOYSA-N
XLogP1.94
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945235
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 126901183
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 56872114
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 126901159
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
(1S,5R)-3-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 74230137
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)azetidine-1-carboxamide
CID 126901204
(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 128892235
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135112662
(5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122245307
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
6-[3-(5-cyclopentyl-1H-pyrazole-3-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 166423482

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 126901258) is [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CC2)[nH]n1)N1CC(n2cc(Br)cn2)C1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is MOXDLOPYKBMKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c14-9-4-15-19(5-9)10-6-18(7-10)13(20)12-3-11(16-17-12)8-1-2-8/h3-5,8,10H,1-2,6-7H2,(H,16,17).
What are the key properties of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 336.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 126901258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).