1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C10H15N3O2 — CID 61410629

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCC1CO
InChIInChI=1S/C10H15N3O2/c14-8-9-3-1-6-13(9)10(15)7-12-5-2-4-11-12/h2,4-5,9,14H,1,3,6-8H2
InChIKeyAGFDWPXRYWBHNE-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds3

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 61410629) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID61410629
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCC1CO
InChIInChI=1S/C10H15N3O2/c14-8-9-3-1-6-13(9)10(15)7-12-5-2-4-11-12/h2,4-5,9,14H,1,3,6-8H2
InChIKeyAGFDWPXRYWBHNE-UHFFFAOYSA-N
XLogP-0.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 115348314
3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
CID 94373970
1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 96539682
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 42886235
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 66260539
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 56779158
2-(4-bromophenyl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95325536
1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 63255447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 61410629) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is AGFDWPXRYWBHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-8-9-3-1-6-13(9)10(15)7-12-5-2-4-11-12/h2,4-5,9,14H,1,3,6-8H2.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 209.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 61410629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).