N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

C26H34N4O3 — CID 67091339

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C26H34N4O3/c1-26(2,3)23-18-24(29(4)28-23)27-25(31)17-19-9-10-22(21-8-6-5-7-20(19)21)33-16-13-30-11-14-32-15-12-30/h5-10,18H,11-17H2,1-4H3,(H,27,31)
InChIKeyFWXZQPCDIWXGFN-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.76
Rot. Bonds7

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide (PubChem CID 67091339) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
PubChem CID67091339
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C26H34N4O3/c1-26(2,3)23-18-24(29(4)28-23)27-25(31)17-19-9-10-22(21-8-6-5-7-20(19)21)33-16-13-30-11-14-32-15-12-30/h5-10,18H,11-17H2,1-4H3,(H,27,31)
InChIKeyFWXZQPCDIWXGFN-UHFFFAOYSA-N
XLogP3.76
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091271
N-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
(2Z)-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 87264903
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 15908533
N-(1-benzylsulfonyl-3-tert-butylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67609567
N-[3-tert-butyl-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262626
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 173045498
1-[3-tert-butyl-1-[3-(oxan-4-ylamino)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 22379829
1-[3-tert-butyl-1-[4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 24986961
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
N-[[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 58760592

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide (CID 67091339) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide is Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The InChIKey is FWXZQPCDIWXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(2,3)23-18-24(29(4)28-23)27-25(31)17-19-9-10-22(21-8-6-5-7-20(19)21)33-16-13-30-11-14-32-15-12-30/h5-10,18H,11-17H2,1-4H3,(H,27,31).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide has a molecular weight of 450.58 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide is sourced from PubChem (CID 67091339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).