1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

C18H17ClN6O2 — CID 89262448

IUPAC1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1
InChIInChI=1S/C18H17ClN6O2/c19-16-10-22-17(11-21-16)25-7-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-9-20-6-8-27-15/h1-5,7,10-11,15,20H,6,8-9H2,(H,23,26)/t15-/m1/s1
InChIKeyATQWQGDZEKQJHT-OAHLLOKOSA-N
MW384.83 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 89262448) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID89262448
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1
InChIInChI=1S/C18H17ClN6O2/c19-16-10-22-17(11-21-16)25-7-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-9-20-6-8-27-15/h1-5,7,10-11,15,20H,6,8-9H2,(H,23,26)/t15-/m1/s1
InChIKeyATQWQGDZEKQJHT-OAHLLOKOSA-N
XLogP2.23
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (CID 89262448) is 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1.
What is the InChIKey of 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is ATQWQGDZEKQJHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c19-16-10-22-17(11-21-16)25-7-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-9-20-6-8-27-15/h1-5,7,10-11,15,20H,6,8-9H2,(H,23,26)/t15-/m1/s1.
What are the key properties of 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 89262448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).