1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride

C18H18Cl2N6O2 — CID 89262472

IUPAC1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1
InChIInChI=1S/C18H17ClN6O2.ClH/c19-16-17(22-7-6-21-16)25-9-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-11-20-8-10-27-15;/h1-7,9,15,20H,8,10-11H2,(H,23,26);1H
InChIKeyGNMWKMAIEPMCDG-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride

1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 89262472) has the molecular formula C18H18Cl2N6O2 and a molecular weight of 421.29 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID89262472
Molecular FormulaC18H18Cl2N6O2
Molecular Weight421.29 g/mol
Exact Mass420.09
IUPAC Name1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1
InChIInChI=1S/C18H17ClN6O2.ClH/c19-16-17(22-7-6-21-16)25-9-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-11-20-8-10-27-15;/h1-7,9,15,20H,8,10-11H2,(H,23,26);1H
InChIKeyGNMWKMAIEPMCDG-UHFFFAOYSA-N
XLogP2.65
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (CID 89262472) is 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is GNMWKMAIEPMCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2.ClH/c19-16-17(22-7-6-21-16)25-9-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-11-20-8-10-27-15;/h1-7,9,15,20H,8,10-11H2,(H,23,26);1H.
What are the key properties of 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 421.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 89262472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).