[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone

C27H31N5O3 — CID 118526544

IUPAC[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(C(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C27H31N5O3/c1-21-17-23(22-5-3-2-4-6-22)7-8-24(21)19-29-9-11-31(12-10-29)27(34)32-20-25(18-28-32)26(33)30-13-15-35-16-14-30/h2-8,17-18,20H,9-16,19H2,1H3
InChIKeyIZNGEFGTKYCDSJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.12
Rot. Bonds4

About [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone

[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 118526544) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID118526544
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(C(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C27H31N5O3/c1-21-17-23(22-5-3-2-4-6-22)7-8-24(21)19-29-9-11-31(12-10-29)27(34)32-20-25(18-28-32)26(33)30-13-15-35-16-14-30/h2-8,17-18,20H,9-16,19H2,1H3
InChIKeyIZNGEFGTKYCDSJ-UHFFFAOYSA-N
XLogP3.12
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone
CID 144965086
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 145316030
morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526844
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526425
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375793
[2-methyl-4-[8-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 46885234
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
CID 123301378

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone (CID 118526544) is [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone is Cc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(C(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IZNGEFGTKYCDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-21-17-23(22-5-3-2-4-6-22)7-8-24(21)19-29-9-11-31(12-10-29)27(34)32-20-25(18-28-32)26(33)30-13-15-35-16-14-30/h2-8,17-18,20H,9-16,19H2,1H3.
What are the key properties of [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone?
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 473.58 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118526544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).