1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C21H22N4O3 — CID 73442098

IUPAC1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-19-8-6-18(7-9-19)25-14-16(12-23-25)21(26)24-17-4-2-15(3-5-17)20-13-22-10-11-28-20/h2-9,12,14,20,22H,10-11,13H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyICERLSSUACJGGO-HXUWFJFHSA-N
MW378.43 g/mol
LogP2.79
Rot. Bonds5

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

1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442098) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442098
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-19-8-6-18(7-9-19)25-14-16(12-23-25)21(26)24-17-4-2-15(3-5-17)20-13-22-10-11-28-20/h2-9,12,14,20,22H,10-11,13H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyICERLSSUACJGGO-HXUWFJFHSA-N
XLogP2.79
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442098) is 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is COc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is ICERLSSUACJGGO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-19-8-6-18(7-9-19)25-14-16(12-23-25)21(26)24-17-4-2-15(3-5-17)20-13-22-10-11-28-20/h2-9,12,14,20,22H,10-11,13H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).