1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone

C10H16N4O — CID 119934619

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CC[C@H](N)C2)n[nH]1
InChIInChI=1S/C10H16N4O/c1-7-4-9(13-12-7)5-10(15)14-3-2-8(11)6-14/h4,8H,2-3,5-6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyASDDISBQZPQZOX-QMMMGPOBSA-N
MW208.26 g/mol
LogP-0.18
Rot. Bonds2

About 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone (PubChem CID 119934619) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
PubChem CID119934619
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CC[C@H](N)C2)n[nH]1
InChIInChI=1S/C10H16N4O/c1-7-4-9(13-12-7)5-10(15)14-3-2-8(11)6-14/h4,8H,2-3,5-6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyASDDISBQZPQZOX-QMMMGPOBSA-N
XLogP-0.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120815701
2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
CID 110848830
1-(3-aminopyrrolidin-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112530754
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 124590634
1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 167954604
(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
CID 95935060
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3,5-dichlorophenyl)ethanone;hydrochloride
CID 176516407
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 119412728

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone (CID 119934619) is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone is Cc1cc(CC(=O)N2CC[C@H](N)C2)n[nH]1.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is ASDDISBQZPQZOX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-4-9(13-12-7)5-10(15)14-3-2-8(11)6-14/h4,8H,2-3,5-6,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 119934619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).