2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine

C17H16N6S — CID 75433632

IUPAC2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
SMILESc1ccc(-n2cc(Cn3nccc3NCc3cscn3)cn2)cc1
InChIInChI=1S/C17H16N6S/c1-2-4-16(5-3-1)22-10-14(8-21-22)11-23-17(6-7-20-23)18-9-15-12-24-13-19-15/h1-8,10,12-13,18H,9,11H2
InChIKeyZSIKZLPXTAWHFK-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.19
Rot. Bonds6

About 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine

2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine (PubChem CID 75433632) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
PubChem CID75433632
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
SMILESc1ccc(-n2cc(Cn3nccc3NCc3cscn3)cn2)cc1
InChIInChI=1S/C17H16N6S/c1-2-4-16(5-3-1)22-10-14(8-21-22)11-23-17(6-7-20-23)18-9-15-12-24-13-19-15/h1-8,10,12-13,18H,9,11H2
InChIKeyZSIKZLPXTAWHFK-UHFFFAOYSA-N
XLogP3.19
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829349
2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
CID 155948531
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422
1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 75433893
4-[[(1S,5R)-6-[(1-phenylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole
CID 70742087
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103746202
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55776558
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807
1-phenyl-6-(1,3-thiazol-4-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154741360
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine (CID 75433632) is 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine is c1ccc(-n2cc(Cn3nccc3NCc3cscn3)cn2)cc1.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
The InChIKey is ZSIKZLPXTAWHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-2-4-16(5-3-1)22-10-14(8-21-22)11-23-17(6-7-20-23)18-9-15-12-24-13-19-15/h1-8,10,12-13,18H,9,11H2.
What are the key properties of 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine has a molecular weight of 336.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 75433632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).