(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

C10H16N4O — CID 122625521

IUPAC(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCCN1CCC[C@@H]1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H16N4O/c1-2-14-5-3-4-9(14)10(15)13-8-6-11-12-7-8/h6-7,9H,2-5H2,1H3,(H,11,12)(H,13,15)/t9-/m1/s1
InChIKeyJAOHXTPWHHMNCG-SECBINFHSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds3

About (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 122625521) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID122625521
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCCN1CCC[C@@H]1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H16N4O/c1-2-14-5-3-4-9(14)10(15)13-8-6-11-12-7-8/h6-7,9H,2-5H2,1H3,(H,11,12)(H,13,15)/t9-/m1/s1
InChIKeyJAOHXTPWHHMNCG-SECBINFHSA-N
XLogP0.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (CID 122625521) is (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is CCN1CCC[C@@H]1C(=O)Nc1cn[nH]c1.
What is the InChIKey of (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is JAOHXTPWHHMNCG-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-14-5-3-4-9(14)10(15)13-8-6-11-12-7-8/h6-7,9H,2-5H2,1H3,(H,11,12)(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 122625521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).