(2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide

C17H26N4O2 — CID 99828723

IUPAC(2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCn1cc([C@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)cn1
InChIInChI=1S/C17H26N4O2/c1-2-21-10-13(9-19-21)15-11-20(7-8-23-15)16(22)18-12-17(5-6-17)14-3-4-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyFSKOAMHZRPTHMN-OAHLLOKOSA-N
MW318.42 g/mol
LogP2.18
Rot. Bonds5

About (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide

(2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 99828723) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID99828723
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCn1cc([C@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)cn1
InChIInChI=1S/C17H26N4O2/c1-2-21-10-13(9-19-21)15-11-20(7-8-23-15)16(22)18-12-17(5-6-17)14-3-4-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyFSKOAMHZRPTHMN-OAHLLOKOSA-N
XLogP2.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide (CID 99828723) is (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide is CCn1cc([C@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)cn1.
What is the InChIKey of (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is FSKOAMHZRPTHMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-21-10-13(9-19-21)15-11-20(7-8-23-15)16(22)18-12-17(5-6-17)14-3-4-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide?
(2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-cyclopropylcyclopropyl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99828723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).