5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide

C26H29F3N4O2 — CID 23625602

IUPAC5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
SMILESCCC1(CC(O)(CNC(=O)c2cnn(-c3ccccc3)c2N)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34)
InChIKeyRDHOUXJDBGOXKP-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.55
Rot. Bonds7

About 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 23625602) has the molecular formula C26H29F3N4O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
PubChem CID23625602
Molecular FormulaC26H29F3N4O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
SMILESCCC1(CC(O)(CNC(=O)c2cnn(-c3ccccc3)c2N)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34)
InChIKeyRDHOUXJDBGOXKP-UHFFFAOYSA-N
XLogP4.55
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide (CID 23625602) is 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide is CCC1(CC(O)(CNC(=O)c2cnn(-c3ccccc3)c2N)C(F)(F)F)CCCc2ccccc21.
What is the InChIKey of 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RDHOUXJDBGOXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34).
What are the key properties of 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 23625602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).