2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole

C19H19N5S — CID 132941094

IUPAC2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(Cc3ccc(-c4cnn(C)c4)cc3)[nH]n2)s1
InChIInChI=1S/C19H19N5S/c1-12-19(25-13(2)21-12)18-9-17(22-23-18)8-14-4-6-15(7-5-14)16-10-20-24(3)11-16/h4-7,9-11H,8H2,1-3H3,(H,22,23)
InChIKeyJCQHEGVRWNLIPF-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.14
Rot. Bonds4

About 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole

2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole (PubChem CID 132941094) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole
PubChem CID132941094
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(Cc3ccc(-c4cnn(C)c4)cc3)[nH]n2)s1
InChIInChI=1S/C19H19N5S/c1-12-19(25-13(2)21-12)18-9-17(22-23-18)8-14-4-6-15(7-5-14)16-10-20-24(3)11-16/h4-7,9-11H,8H2,1-3H3,(H,22,23)
InChIKeyJCQHEGVRWNLIPF-UHFFFAOYSA-N
XLogP4.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole (CID 132941094) is 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole is Cc1nc(C)c(-c2cc(Cc3ccc(-c4cnn(C)c4)cc3)[nH]n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
The InChIKey is JCQHEGVRWNLIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-12-19(25-13(2)21-12)18-9-17(22-23-18)8-14-4-6-15(7-5-14)16-10-20-24(3)11-16/h4-7,9-11H,8H2,1-3H3,(H,22,23).
What are the key properties of 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole has a molecular weight of 349.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 132941094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).