N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

C17H17F3N4S — CID 151155997

IUPACN-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCn1nccc1-c1csc(NC(CN)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4S/c1-24-15(6-7-22-24)11-8-16(25-10-11)23-14(9-21)12-4-2-3-5-13(12)17(18,19)20/h2-8,10,14,23H,9,21H2,1H3
InChIKeyMZGGRFCQMRIZPK-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.28
Rot. Bonds5

About N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 151155997) has the molecular formula C17H17F3N4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID151155997
Molecular FormulaC17H17F3N4S
Molecular Weight366.41 g/mol
Exact Mass366.11
IUPAC NameN-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCn1nccc1-c1csc(NC(CN)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4S/c1-24-15(6-7-22-24)11-8-16(25-10-11)23-14(9-21)12-4-2-3-5-13(12)17(18,19)20/h2-8,10,14,23H,9,21H2,1H3
InChIKeyMZGGRFCQMRIZPK-UHFFFAOYSA-N
XLogP4.28
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine
CID 150549406
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377278
N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 143734343
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide
CID 24997112
N-(2-methylprop-2-enyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616293
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 74382819
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-2-chloro-1-methyl-5-(2-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 24997128
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-fluoro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 24994372

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 151155997) is N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is Cn1nccc1-c1csc(NC(CN)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is MZGGRFCQMRIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4S/c1-24-15(6-7-22-24)11-8-16(25-10-11)23-14(9-21)12-4-2-3-5-13(12)17(18,19)20/h2-8,10,14,23H,9,21H2,1H3.
What are the key properties of N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 366.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 151155997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).