N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide

C33H39F3N4O — CID 11706775

IUPACN-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C33H39F3N4O/c1-4-39(5-2)20-10-11-24(3)37-32(41)17-9-16-29-23-31(27-14-8-15-28(21-27)33(34,35)36)38-40(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,37,41)
InChIKeyRLXPKABGYGNYMI-UHFFFAOYSA-N
MW564.70 g/mol
LogP7.66
Rot. Bonds13

About N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide

N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide (PubChem CID 11706775) has the molecular formula C33H39F3N4O and a molecular weight of 564.70 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide
PubChem CID11706775
Molecular FormulaC33H39F3N4O
Molecular Weight564.70 g/mol
Exact Mass564.31
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C33H39F3N4O/c1-4-39(5-2)20-10-11-24(3)37-32(41)17-9-16-29-23-31(27-14-8-15-28(21-27)33(34,35)36)38-40(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,37,41)
InChIKeyRLXPKABGYGNYMI-UHFFFAOYSA-N
XLogP7.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.70
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide (CID 11706775) is N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide is CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide?
The InChIKey is RLXPKABGYGNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N4O/c1-4-39(5-2)20-10-11-24(3)37-32(41)17-9-16-29-23-31(27-14-8-15-28(21-27)33(34,35)36)38-40(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,37,41).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide?
N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide has a molecular weight of 564.70 g/mol, XLogP of 7.66, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-4-[1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]butanamide is sourced from PubChem (CID 11706775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).