1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride

C10H18Cl2N4O — CID 119410423

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C10H16N4O.2ClH/c11-9-2-6-13(8-9)10(15)3-7-14-5-1-4-12-14;;/h1,4-5,9H,2-3,6-8,11H2;2*1H/t9-;;/m1../s1
InChIKeyYCOXVLUSAZQPIE-KLQYNRQASA-N
MW281.19 g/mol
LogP0.68
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride

1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride (PubChem CID 119410423) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
PubChem CID119410423
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C10H16N4O.2ClH/c11-9-2-6-13(8-9)10(15)3-7-14-5-1-4-12-14;;/h1,4-5,9H,2-3,6-8,11H2;2*1H/t9-;;/m1../s1
InChIKeyYCOXVLUSAZQPIE-KLQYNRQASA-N
XLogP0.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119592480
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
CID 151886257
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride (CID 119410423) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride is Cl.Cl.N[C@@H]1CCN(C(=O)CCn2cccn2)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride?
The InChIKey is YCOXVLUSAZQPIE-KLQYNRQASA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c11-9-2-6-13(8-9)10(15)3-7-14-5-1-4-12-14;;/h1,4-5,9H,2-3,6-8,11H2;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride?
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119410423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).