N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide

C16H17F3N4O2 — CID 118526722

IUPACN-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)c1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-10-21-23(11-13)15(24)20-9-12-2-1-3-14(8-12)22-4-6-25-7-5-22/h1-3,8,10-11H,4-7,9H2,(H,20,24)
InChIKeyDPKYCNYXXRWFKG-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.50
Rot. Bonds3

About N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide

N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 118526722) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID118526722
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)c1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-10-21-23(11-13)15(24)20-9-12-2-1-3-14(8-12)22-4-6-25-7-5-22/h1-3,8,10-11H,4-7,9H2,(H,20,24)
InChIKeyDPKYCNYXXRWFKG-UHFFFAOYSA-N
XLogP2.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide (CID 118526722) is N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide is O=C(NCc1cccc(N2CCOCC2)c1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is DPKYCNYXXRWFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)13-10-21-23(11-13)15(24)20-9-12-2-1-3-14(8-12)22-4-6-25-7-5-22/h1-3,8,10-11H,4-7,9H2,(H,20,24).
What are the key properties of N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).