2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile

C10H12BrN3O — CID 130339257

IUPAC2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(Br)cn2)C1
InChIInChI=1S/C10H12BrN3O/c1-15-9-4-10(5-9,2-3-12)14-7-8(11)6-13-14/h6-7,9H,2,4-5H2,1H3
InChIKeyUCDNEDCQEVVQPO-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile

2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile (PubChem CID 130339257) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile
PubChem CID130339257
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(Br)cn2)C1
InChIInChI=1S/C10H12BrN3O/c1-15-9-4-10(5-9,2-3-12)14-7-8(11)6-13-14/h6-7,9H,2,4-5H2,1H3
InChIKeyUCDNEDCQEVVQPO-UHFFFAOYSA-N
XLogP2.06
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine
CID 130380618
2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 142530293
3-[4-[1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 130339307
3-[(4-bromopyrazol-1-yl)methyl]-1-methoxycyclobutane-1-carbonitrile
CID 143190158
[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
CID 84723824
2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 155207407
2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
CID 106824751
[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 84738155
4-bromo-1-(3,3-dimethoxycyclobutyl)pyrazole
CID 155895053
2-[1-but-3-ynyl-3-(4-ethylpyrazol-1-yl)azetidin-3-yl]acetonitrile
CID 88899559
2-[3-(4-aminopyrazol-1-yl)-1-methylsulfonylazetidin-3-yl]acetonitrile
CID 163210881
2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]oxetan-3-yl]acetonitrile
CID 90296660

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile?
The IUPAC name of 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile (CID 130339257) is 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile is COC1CC(CC#N)(n2cc(Br)cn2)C1.
What is the InChIKey of 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile?
The InChIKey is UCDNEDCQEVVQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-15-9-4-10(5-9,2-3-12)14-7-8(11)6-13-14/h6-7,9H,2,4-5H2,1H3.
What are the key properties of 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile?
2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile has a molecular weight of 270.13 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]acetonitrile is sourced from PubChem (CID 130339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).