N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

C21H26N6O2 — CID 126795527

IUPACN-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(-n2cc(C)cn2)c(NC(=O)N2CCOC(Cn3cc(C)cn3)C2)c1
InChIInChI=1S/C21H26N6O2/c1-15-4-5-20(27-12-17(3)10-23-27)19(8-15)24-21(28)25-6-7-29-18(13-25)14-26-11-16(2)9-22-26/h4-5,8-12,18H,6-7,13-14H2,1-3H3,(H,24,28)
InChIKeyHNPSWLJLXAIVQM-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.93
Rot. Bonds4

About N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide (PubChem CID 126795527) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
PubChem CID126795527
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(-n2cc(C)cn2)c(NC(=O)N2CCOC(Cn3cc(C)cn3)C2)c1
InChIInChI=1S/C21H26N6O2/c1-15-4-5-20(27-12-17(3)10-23-27)19(8-15)24-21(28)25-6-7-29-18(13-25)14-26-11-16(2)9-22-26/h4-5,8-12,18H,6-7,13-14H2,1-3H3,(H,24,28)
InChIKeyHNPSWLJLXAIVQM-UHFFFAOYSA-N
XLogP2.93
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide (CID 126795527) is N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide is Cc1ccc(-n2cc(C)cn2)c(NC(=O)N2CCOC(Cn3cc(C)cn3)C2)c1.
What is the InChIKey of N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The InChIKey is HNPSWLJLXAIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-4-5-20(27-12-17(3)10-23-27)19(8-15)24-21(28)25-6-7-29-18(13-25)14-26-11-16(2)9-22-26/h4-5,8-12,18H,6-7,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 126795527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).