[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C14H21N3O2 — CID 91919422

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H21N3O2/c1-2-17-13(5-7-15-17)14(18)16-8-6-12(9-16)19-10-11-3-4-11/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeyGZIFHNDCYRDCGL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.54
Rot. Bonds5

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 91919422) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID91919422
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H21N3O2/c1-2-17-13(5-7-15-17)14(18)16-8-6-12(9-16)19-10-11-3-4-11/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeyGZIFHNDCYRDCGL-UHFFFAOYSA-N
XLogP1.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 91919422) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is GZIFHNDCYRDCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17-13(5-7-15-17)14(18)16-8-6-12(9-16)19-10-11-3-4-11/h5,7,11-12H,2-4,6,8-10H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 91919422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).