(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide

C17H28N4O2 — CID 128997299

IUPAC(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCCN(CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1)C1CC1
InChIInChI=1S/C17H28N4O2/c1-3-20(14-5-6-14)9-8-18-17(22)15-7-10-23-16(15)13-11-19-21(4-2)12-13/h11-12,14-16H,3-10H2,1-2H3,(H,18,22)/t15-,16+/m0/s1
InChIKeyATVJNKJPZDXHNS-JKSUJKDBSA-N
MW320.44 g/mol
LogP1.58
Rot. Bonds8

About (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128997299) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128997299
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCCN(CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1)C1CC1
InChIInChI=1S/C17H28N4O2/c1-3-20(14-5-6-14)9-8-18-17(22)15-7-10-23-16(15)13-11-19-21(4-2)12-13/h11-12,14-16H,3-10H2,1-2H3,(H,18,22)/t15-,16+/m0/s1
InChIKeyATVJNKJPZDXHNS-JKSUJKDBSA-N
XLogP1.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide (CID 128997299) is (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide is CCN(CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1)C1CC1.
What is the InChIKey of (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is ATVJNKJPZDXHNS-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-20(14-5-6-14)9-8-18-17(22)15-7-10-23-16(15)13-11-19-21(4-2)12-13/h11-12,14-16H,3-10H2,1-2H3,(H,18,22)/t15-,16+/m0/s1.
What are the key properties of (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128997299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).