(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

C11H18N4O2 — CID 61179722

IUPAC(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCOCCn1cc(NC(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C11H18N4O2/c1-17-6-5-15-8-9(7-13-15)14-11(16)10-3-2-4-12-10/h7-8,10,12H,2-6H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyBSXQLTYAVXVUCT-JTQLQIEISA-N
MW238.29 g/mol
LogP0.22
Rot. Bonds5

About (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (PubChem CID 61179722) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
PubChem CID61179722
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCOCCn1cc(NC(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C11H18N4O2/c1-17-6-5-15-8-9(7-13-15)14-11(16)10-3-2-4-12-10/h7-8,10,12H,2-6H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyBSXQLTYAVXVUCT-JTQLQIEISA-N
XLogP0.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (CID 61179722) is (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is COCCn1cc(NC(=O)[C@@H]2CCCN2)cn1.
What is the InChIKey of (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is BSXQLTYAVXVUCT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-6-5-15-8-9(7-13-15)14-11(16)10-3-2-4-12-10/h7-8,10,12H,2-6H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61179722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).