N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide

C27H28N4O2 — CID 42518205

IUPACN-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
SMILESCc1c([C@H](C)NC(=O)c2cccc(N3CCOCC3)c2)cnn1-c1cccc2ccccc12
InChIInChI=1S/C27H28N4O2/c1-19(29-27(32)22-9-5-10-23(17-22)30-13-15-33-16-14-30)25-18-28-31(20(25)2)26-12-6-8-21-7-3-4-11-24(21)26/h3-12,17-19H,13-16H2,1-2H3,(H,29,32)/t19-/m0/s1
InChIKeyYPCLUDMWFVGJTH-IBGZPJMESA-N
MW440.55 g/mol
LogP4.66
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide

N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide (PubChem CID 42518205) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
PubChem CID42518205
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
SMILESCc1c([C@H](C)NC(=O)c2cccc(N3CCOCC3)c2)cnn1-c1cccc2ccccc12
InChIInChI=1S/C27H28N4O2/c1-19(29-27(32)22-9-5-10-23(17-22)30-13-15-33-16-14-30)25-18-28-31(20(25)2)26-12-6-8-21-7-3-4-11-24(21)26/h3-12,17-19H,13-16H2,1-2H3,(H,29,32)/t19-/m0/s1
InChIKeyYPCLUDMWFVGJTH-IBGZPJMESA-N
XLogP4.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide (CID 42518205) is N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide is Cc1c([C@H](C)NC(=O)c2cccc(N3CCOCC3)c2)cnn1-c1cccc2ccccc12.
What is the InChIKey of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide?
The InChIKey is YPCLUDMWFVGJTH-IBGZPJMESA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19(29-27(32)22-9-5-10-23(17-22)30-13-15-33-16-14-30)25-18-28-31(20(25)2)26-12-6-8-21-7-3-4-11-24(21)26/h3-12,17-19H,13-16H2,1-2H3,(H,29,32)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide?
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide has a molecular weight of 440.55 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 42518205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).