N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C17H19F3N4O3 — CID 95851846

IUPACN-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)15-11-14(22-23-15)16(25)21-12-2-1-3-13(10-12)27-9-6-24-4-7-26-8-5-24/h1-3,10-11H,4-9H2,(H,21,25)(H,22,23)
InChIKeyCCQQKSZJDBBRJA-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 95851846) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID95851846
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC NameN-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)15-11-14(22-23-15)16(25)21-12-2-1-3-13(10-12)27-9-6-24-4-7-26-8-5-24/h1-3,10-11H,4-9H2,(H,21,25)(H,22,23)
InChIKeyCCQQKSZJDBBRJA-UHFFFAOYSA-N
XLogP2.39
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 95851846) is N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CCQQKSZJDBBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c18-17(19,20)15-11-14(22-23-15)16(25)21-12-2-1-3-13(10-12)27-9-6-24-4-7-26-8-5-24/h1-3,10-11H,4-9H2,(H,21,25)(H,22,23).
What are the key properties of N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95851846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).