4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H18ClF3N4O — CID 19268103

IUPAC4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C12H18ClF3N4O/c1-4-20(5-2)7-6-17-11(21)9-8(13)10(12(14,15)16)19(3)18-9/h4-7H2,1-3H3,(H,17,21)
InChIKeyYWBKEZYDLKSFFE-UHFFFAOYSA-N
MW326.75 g/mol
LogP2.16
Rot. Bonds6

About 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268103) has the molecular formula C12H18ClF3N4O and a molecular weight of 326.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268103
Molecular FormulaC12H18ClF3N4O
Molecular Weight326.75 g/mol
Exact Mass326.11
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C12H18ClF3N4O/c1-4-20(5-2)7-6-17-11(21)9-8(13)10(12(14,15)16)19(3)18-9/h4-7H2,1-3H3,(H,17,21)
InChIKeyYWBKEZYDLKSFFE-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268103) is 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is YWBKEZYDLKSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClF3N4O/c1-4-20(5-2)7-6-17-11(21)9-8(13)10(12(14,15)16)19(3)18-9/h4-7H2,1-3H3,(H,17,21).
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 326.75 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).