[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine

C14H15N5S — CID 107783045

IUPAC[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccccc2)c(Sc2ncc[nH]2)c1CN
InChIInChI=1S/C14H15N5S/c1-10-12(9-15)13(20-14-16-7-8-17-14)19(18-10)11-5-3-2-4-6-11/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyHBMZIXWJNCGXLY-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.51
Rot. Bonds4

About [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine

[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine (PubChem CID 107783045) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine
PubChem CID107783045
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccccc2)c(Sc2ncc[nH]2)c1CN
InChIInChI=1S/C14H15N5S/c1-10-12(9-15)13(20-14-16-7-8-17-14)19(18-10)11-5-3-2-4-6-11/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyHBMZIXWJNCGXLY-UHFFFAOYSA-N
XLogP2.51
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1H-imidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107780981
[3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpyrazol-4-yl]methanamine
CID 104604361
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one
CID 63808329
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
CID 63814567
N-[(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 63813577
4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one
CID 28965251
1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine
CID 63835282
(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
CID 15252513

Frequently Asked Questions

What is the IUPAC name of [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine (CID 107783045) is [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine is Cc1nn(-c2ccccc2)c(Sc2ncc[nH]2)c1CN.
What is the InChIKey of [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine?
The InChIKey is HBMZIXWJNCGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-12(9-15)13(20-14-16-7-8-17-14)19(18-10)11-5-3-2-4-6-11/h2-8H,9,15H2,1H3,(H,16,17).
What are the key properties of [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine?
[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine has a molecular weight of 285.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine is sourced from PubChem (CID 107783045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).