1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C12H18N4O — CID 72868813

IUPAC1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESN[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C1CC1
InChIInChI=1S/C12H18N4O/c13-11-7-15(6-10(11)9-2-3-9)12(17)8-16-5-1-4-14-16/h1,4-5,9-11H,2-3,6-8,13H2/t10-,11+/m1/s1
InChIKeyXDPUHYUXZBKANF-MNOVXSKESA-N
MW234.30 g/mol
LogP0.08
Rot. Bonds3

About 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 72868813) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID72868813
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESN[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C1CC1
InChIInChI=1S/C12H18N4O/c13-11-7-15(6-10(11)9-2-3-9)12(17)8-16-5-1-4-14-16/h1,4-5,9-11H,2-3,6-8,13H2/t10-,11+/m1/s1
InChIKeyXDPUHYUXZBKANF-MNOVXSKESA-N
XLogP0.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53608096
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53608123
2-(Diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779303
2-[Cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56780164
2-[Cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56780185
8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882763
N-(1-cyanocyclohexyl)-N-methyl-2-{[2-(1H-pyrazol-1-yl)ethyl]amino}acetamide
CID 72140776
1-{[2-(1H-pyrazol-1-yl)butanoyl]amino}cyclopentanecarboxamide
CID 72860904
N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
CID 39723150
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70720146

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 72868813) is 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone is N[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C1CC1.
What is the InChIKey of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is XDPUHYUXZBKANF-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-7-15(6-10(11)9-2-3-9)12(17)8-16-5-1-4-14-16/h1,4-5,9-11H,2-3,6-8,13H2/t10-,11+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 72868813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).