1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea

C26H33N5O2 — CID 78881919

IUPAC1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H33N5O2/c1-20-25(21(2)31(29-20)18-23-11-7-4-8-12-23)16-28-26(32)27-15-24-19-30(13-14-33-24)17-22-9-5-3-6-10-22/h3-12,24H,13-19H2,1-2H3,(H2,27,28,32)
InChIKeyLFGMYDCYTDREPT-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.25
Rot. Bonds8

About 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea

1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea (PubChem CID 78881919) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea
PubChem CID78881919
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H33N5O2/c1-20-25(21(2)31(29-20)18-23-11-7-4-8-12-23)16-28-26(32)27-15-24-19-30(13-14-33-24)17-22-9-5-3-6-10-22/h3-12,24H,13-19H2,1-2H3,(H2,27,28,32)
InChIKeyLFGMYDCYTDREPT-UHFFFAOYSA-N
XLogP3.25
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 43064056
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide
CID 96542097

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea (CID 78881919) is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea?
The InChIKey is LFGMYDCYTDREPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-20-25(21(2)31(29-20)18-23-11-7-4-8-12-23)16-28-26(32)27-15-24-19-30(13-14-33-24)17-22-9-5-3-6-10-22/h3-12,24H,13-19H2,1-2H3,(H2,27,28,32).
What are the key properties of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea?
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea has a molecular weight of 447.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 78881919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).