1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea

C30H35N5O2 — CID 10141622

IUPAC1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C30H35N5O2/c1-21-9-12-23(13-10-21)35-28(19-27(33-35)30(2,3)4)32-29(36)31-26-14-11-22(20-34-15-17-37-18-16-34)24-7-5-6-8-25(24)26/h5-14,19H,15-18,20H2,1-4H3,(H2,31,32,36)
InChIKeyYYAWSVKLYLGEPL-UHFFFAOYSA-N
MW497.64 g/mol
LogP6.11
Rot. Bonds5

About 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea

1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea (PubChem CID 10141622) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea
PubChem CID10141622
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C30H35N5O2/c1-21-9-12-23(13-10-21)35-28(19-27(33-35)30(2,3)4)32-29(36)31-26-14-11-22(20-34-15-17-37-18-16-34)24-7-5-6-8-25(24)26/h5-14,19H,15-18,20H2,1-4H3,(H2,31,32,36)
InChIKeyYYAWSVKLYLGEPL-UHFFFAOYSA-N
XLogP6.11
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]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

1-[4-[3,4-bis(morpholin-4-ylmethyl)phenyl]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 10153495
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]naphthalen-1-yl]urea
CID 90823270
1-[3-tert-butyl-1-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-[4-[2-(morpholin-4-ylmethyl)phenyl]naphthalen-1-yl]urea
CID 54160224
N-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
1-[3-tert-butyl-1-(2-methoxypyrimidin-5-yl)pyrazol-5-yl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217964
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(4-morpholin-4-ylbutylcarbamoylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46235696
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]morpholine-4-carboxamide
CID 53241899
3-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-1-methyl-1-(2-morpholin-4-ylethyl)urea
CID 46235540
2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine
CID 159447552
1-[3-tert-butyl-1-(2-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]naphthalen-1-yl]urea
CID 91110049
N-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide
CID 46235389
2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine
CID 157487524

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea?
The IUPAC name of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea (CID 10141622) is 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea.
What is the SMILES notation for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea?
The canonical SMILES for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea?
The InChIKey is YYAWSVKLYLGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-21-9-12-23(13-10-21)35-28(19-27(33-35)30(2,3)4)32-29(36)31-26-14-11-22(20-34-15-17-37-18-16-34)24-7-5-6-8-25(24)26/h5-14,19H,15-18,20H2,1-4H3,(H2,31,32,36).
What are the key properties of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea?
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea has a molecular weight of 497.64 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(morpholin-4-ylmethyl)naphthalen-1-yl]urea is sourced from PubChem (CID 10141622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).