2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

C11H18N4O — CID 129320751

IUPAC2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](N)c1cnn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C11H18N4O/c1-9(12)10-6-13-15(7-10)8-11(16)14-4-2-3-5-14/h6-7,9H,2-5,8,12H2,1H3/t9-/m1/s1
InChIKeyRAQLDXPAEWBNOV-SECBINFHSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds3

About 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 129320751) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID129320751
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](N)c1cnn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C11H18N4O/c1-9(12)10-6-13-15(7-10)8-11(16)14-4-2-3-5-14/h6-7,9H,2-5,8,12H2,1H3/t9-/m1/s1
InChIKeyRAQLDXPAEWBNOV-SECBINFHSA-N
XLogP0.53
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
2-(4-Methylpyrazol-1-yl)-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53579544
N-(cyclopropylmethyl)-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 53613462
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
N-(2-cyanoethyl)-N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53627184
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56780194
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 56825328
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
N-(1-cyclopropylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141841
N-(1-cyano-1-methylethyl)-N-methyl-2-[2-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72146361
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 75428135

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 129320751) is 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is C[C@@H](N)c1cnn(CC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RAQLDXPAEWBNOV-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(12)10-6-13-15(7-10)8-11(16)14-4-2-3-5-14/h6-7,9H,2-5,8,12H2,1H3/t9-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 222.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 129320751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).