(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C17H19FN4S — CID 95191019

IUPAC(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1
InChIInChI=1S/C17H19FN4S/c1-11(19-8-15-10-23-13(3)21-15)17-9-20-22(12(17)2)16-6-4-14(18)5-7-16/h4-7,9-11,19H,8H2,1-3H3/t11-/m0/s1
InChIKeyAXLUWBKBCFBRFX-NSHDSACASA-N
MW330.43 g/mol
LogP3.94
Rot. Bonds5

About (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 95191019) has the molecular formula C17H19FN4S and a molecular weight of 330.43 g/mol. Its IUPAC name is (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID95191019
Molecular FormulaC17H19FN4S
Molecular Weight330.43 g/mol
Exact Mass330.13
IUPAC Name(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1
InChIInChI=1S/C17H19FN4S/c1-11(19-8-15-10-23-13(3)21-15)17-9-20-22(12(17)2)16-6-4-14(18)5-7-16/h4-7,9-11,19H,8H2,1-3H3/t11-/m0/s1
InChIKeyAXLUWBKBCFBRFX-NSHDSACASA-N
XLogP3.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 94962216
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55578525
1-(2,5-difluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43433814
1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103778055
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 45211814
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 45215486
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 95191019) is (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1.
What is the InChIKey of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is AXLUWBKBCFBRFX-NSHDSACASA-N. The full InChI is InChI=1S/C17H19FN4S/c1-11(19-8-15-10-23-13(3)21-15)17-9-20-22(12(17)2)16-6-4-14(18)5-7-16/h4-7,9-11,19H,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 330.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 95191019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).