2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile

C12H17N3O — CID 116805233

IUPAC2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile
SMILESCC(C)n1cc(OCC2(CC#N)CC2)cn1
InChIInChI=1S/C12H17N3O/c1-10(2)15-8-11(7-14-15)16-9-12(3-4-12)5-6-13/h7-8,10H,3-5,9H2,1-2H3
InChIKeyYJXSUPAESAQRSV-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile

2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile (PubChem CID 116805233) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile
PubChem CID116805233
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile
SMILESCC(C)n1cc(OCC2(CC#N)CC2)cn1
InChIInChI=1S/C12H17N3O/c1-10(2)15-8-11(7-14-15)16-9-12(3-4-12)5-6-13/h7-8,10H,3-5,9H2,1-2H3
InChIKeyYJXSUPAESAQRSV-UHFFFAOYSA-N
XLogP2.54
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480924
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
3-fluoro-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]benzonitrile
CID 116805277
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile (CID 116805233) is 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile is CC(C)n1cc(OCC2(CC#N)CC2)cn1.
What is the InChIKey of 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is YJXSUPAESAQRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(2)15-8-11(7-14-15)16-9-12(3-4-12)5-6-13/h7-8,10H,3-5,9H2,1-2H3.
What are the key properties of 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile?
2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 116805233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).