1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine

C14H14N4S — CID 62999432

IUPAC1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
SMILESc1ccc(Cn2cc(NCc3nccs3)cn2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-12(5-3-1)10-18-11-13(8-17-18)16-9-14-15-6-7-19-14/h1-8,11,16H,9-10H2
InChIKeyFDTVNDXHLYFNPB-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds5

About 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine

1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine (PubChem CID 62999432) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
PubChem CID62999432
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
SMILESc1ccc(Cn2cc(NCc3nccs3)cn2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-12(5-3-1)10-18-11-13(8-17-18)16-9-14-15-6-7-19-14/h1-8,11,16H,9-10H2
InChIKeyFDTVNDXHLYFNPB-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
CID 60931899
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine (CID 62999432) is 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine is c1ccc(Cn2cc(NCc3nccs3)cn2)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
The InChIKey is FDTVNDXHLYFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-4-12(5-3-1)10-18-11-13(8-17-18)16-9-14-15-6-7-19-14/h1-8,11,16H,9-10H2.
What are the key properties of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62999432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).