N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H23F3N4O — CID 19563752

IUPACN-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H23F3N4O/c1-4-20(5-2)9-7-18-13(22)6-8-21-11(3)10-12(19-21)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,22)
InChIKeyXSOWBLKFEWBNKN-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.06
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19563752) has the molecular formula C14H23F3N4O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19563752
Molecular FormulaC14H23F3N4O
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC NameN-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H23F3N4O/c1-4-20(5-2)9-7-18-13(22)6-8-21-11(3)10-12(19-21)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,22)
InChIKeyXSOWBLKFEWBNKN-UHFFFAOYSA-N
XLogP2.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19563752) is N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCN(CC)CCNC(=O)CCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is XSOWBLKFEWBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O/c1-4-20(5-2)9-7-18-13(22)6-8-21-11(3)10-12(19-21)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 320.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19563752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).