N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide

C24H29F3N4O2 — CID 66644426

IUPACN-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide
SMILESCCCN(CCC)n1nc(C(F)(F)F)cc1CNC(=O)C(C)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C24H29F3N4O2/c1-4-10-30(11-5-2)31-20(14-22(29-31)24(25,26)27)15-28-23(33)16(3)17-6-7-19-13-21(32)9-8-18(19)12-17/h6-9,12-14,16,32H,4-5,10-11,15H2,1-3H3,(H,28,33)
InChIKeyKYORJAZPIUMTQB-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.94
Rot. Bonds9

About N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide

N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide (PubChem CID 66644426) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide
PubChem CID66644426
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC NameN-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide
SMILESCCCN(CCC)n1nc(C(F)(F)F)cc1CNC(=O)C(C)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C24H29F3N4O2/c1-4-10-30(11-5-2)31-20(14-22(29-31)24(25,26)27)15-28-23(33)16(3)17-6-7-19-13-21(32)9-8-18(19)12-17/h6-9,12-14,16,32H,4-5,10-11,15H2,1-3H3,(H,28,33)
InChIKeyKYORJAZPIUMTQB-UHFFFAOYSA-N
XLogP4.94
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide?
The IUPAC name of N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide (CID 66644426) is N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide is CCCN(CCC)n1nc(C(F)(F)F)cc1CNC(=O)C(C)c1ccc2cc(O)ccc2c1.
What is the InChIKey of N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide?
The InChIKey is KYORJAZPIUMTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-4-10-30(11-5-2)31-20(14-22(29-31)24(25,26)27)15-28-23(33)16(3)17-6-7-19-13-21(32)9-8-18(19)12-17/h6-9,12-14,16,32H,4-5,10-11,15H2,1-3H3,(H,28,33).
What are the key properties of N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide?
N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide has a molecular weight of 462.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 66644426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).