(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C13H22N4O — CID 95325173

IUPAC(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cnn(CCN[C@@H](C)C(=O)N2CCCC2)c1
InChIInChI=1S/C13H22N4O/c1-11-9-15-17(10-11)8-5-14-12(2)13(18)16-6-3-4-7-16/h9-10,12,14H,3-8H2,1-2H3/t12-/m0/s1
InChIKeyBWKHLRRCHITBMR-LBPRGKRZSA-N
MW250.35 g/mol
LogP0.79
Rot. Bonds5

About (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95325173) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95325173
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cnn(CCN[C@@H](C)C(=O)N2CCCC2)c1
InChIInChI=1S/C13H22N4O/c1-11-9-15-17(10-11)8-5-14-12(2)13(18)16-6-3-4-7-16/h9-10,12,14H,3-8H2,1-2H3/t12-/m0/s1
InChIKeyBWKHLRRCHITBMR-LBPRGKRZSA-N
XLogP0.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 95325173) is (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is Cc1cnn(CCN[C@@H](C)C(=O)N2CCCC2)c1.
What is the InChIKey of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BWKHLRRCHITBMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-9-15-17(10-11)8-5-14-12(2)13(18)16-6-3-4-7-16/h9-10,12,14H,3-8H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95325173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).