5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C18H16F3N5O — CID 46948878

IUPAC5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)12-7-4-8-13(9-12)24-17(27)14-15(22)25-26-16(14)23-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,24,27)(H4,22,23,25,26)
InChIKeyCKPUVJKRHRBQHO-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.88
Rot. Bonds5

About 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 46948878) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID46948878
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)12-7-4-8-13(9-12)24-17(27)14-15(22)25-26-16(14)23-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,24,27)(H4,22,23,25,26)
InChIKeyCKPUVJKRHRBQHO-UHFFFAOYSA-N
XLogP3.88
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1486828
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 88852307
2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 143812928
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 71694746
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213709
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 46948878) is 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CKPUVJKRHRBQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)12-7-4-8-13(9-12)24-17(27)14-15(22)25-26-16(14)23-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,24,27)(H4,22,23,25,26).
What are the key properties of 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46948878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).