[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone

C23H25N3O4 — CID 68613742

IUPAC[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cc2c(-c3ccc(C(=O)N4CCOCC4)cc3)n[nH]c2CO)cc1
InChIInChI=1S/C23H25N3O4/c1-29-19-8-2-16(3-9-19)14-20-21(15-27)24-25-22(20)17-4-6-18(7-5-17)23(28)26-10-12-30-13-11-26/h2-9,27H,10-15H2,1H3,(H,24,25)
InChIKeyKFCZTZLQMGBBPY-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.64
Rot. Bonds6

About [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 68613742) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID68613742
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cc2c(-c3ccc(C(=O)N4CCOCC4)cc3)n[nH]c2CO)cc1
InChIInChI=1S/C23H25N3O4/c1-29-19-8-2-16(3-9-19)14-20-21(15-27)24-25-22(20)17-4-6-18(7-5-17)23(28)26-10-12-30-13-11-26/h2-9,27H,10-15H2,1H3,(H,24,25)
InChIKeyKFCZTZLQMGBBPY-UHFFFAOYSA-N
XLogP2.64
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone (CID 68613742) is [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone is COc1ccc(Cc2c(-c3ccc(C(=O)N4CCOCC4)cc3)n[nH]c2CO)cc1.
What is the InChIKey of [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is KFCZTZLQMGBBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-19-8-2-16(3-9-19)14-20-21(15-27)24-25-22(20)17-4-6-18(7-5-17)23(28)26-10-12-30-13-11-26/h2-9,27H,10-15H2,1H3,(H,24,25).
What are the key properties of [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 407.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68613742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).