N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C19H25F3N4O — CID 87008828

IUPACN-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cn(C)nc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C19H25F3N4O/c1-4-26(5-2)15(11-14-9-7-6-8-10-14)12-23-18(27)16-13-25(3)24-17(16)19(20,21)22/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,23,27)
InChIKeyISSMDQGYPQBESZ-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.12
Rot. Bonds8

About N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008828) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008828
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cn(C)nc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C19H25F3N4O/c1-4-26(5-2)15(11-14-9-7-6-8-10-14)12-23-18(27)16-13-25(3)24-17(16)19(20,21)22/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,23,27)
InChIKeyISSMDQGYPQBESZ-UHFFFAOYSA-N
XLogP3.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008611
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86853165
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
3-[[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid
CID 91644944
N-[[4-(diethylcarbamoyl)phenyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020417
3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
CID 43067611
1-methyl-N-(naphthalen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020382
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
N-[2-(diethylamino)-3-phenylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55835831
N-ethyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71131088
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008828) is N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CC)C(CNC(=O)c1cn(C)nc1C(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ISSMDQGYPQBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-4-26(5-2)15(11-14-9-7-6-8-10-14)12-23-18(27)16-13-25(3)24-17(16)19(20,21)22/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).