(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide

C15H19N5O2 — CID 120940633

IUPAC(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C15H19N5O2/c1-11-14(17-7-9-22-11)15(21)18-13-4-8-20(19-13)10-12-2-5-16-6-3-12/h2-6,8,11,14,17H,7,9-10H2,1H3,(H,18,19,21)/t11-,14+/m1/s1
InChIKeyZHTDULOYQUPNCX-RISCZKNCSA-N
MW301.35 g/mol
LogP0.64
Rot. Bonds4

About (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide (PubChem CID 120940633) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide
PubChem CID120940633
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C15H19N5O2/c1-11-14(17-7-9-22-11)15(21)18-13-4-8-20(19-13)10-12-2-5-16-6-3-12/h2-6,8,11,14,17H,7,9-10H2,1H3,(H,18,19,21)/t11-,14+/m1/s1
InChIKeyZHTDULOYQUPNCX-RISCZKNCSA-N
XLogP0.64
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide (CID 120940633) is (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccn(Cc2ccncc2)n1.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide?
The InChIKey is ZHTDULOYQUPNCX-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-14(17-7-9-22-11)15(21)18-13-4-8-20(19-13)10-12-2-5-16-6-3-12/h2-6,8,11,14,17H,7,9-10H2,1H3,(H,18,19,21)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120940633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).