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

C15H16N4S — CID 71969697

IUPAC1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
SMILESCc1csc(CNc2ccn(Cc3ccccc3)n2)n1
InChIInChI=1S/C15H16N4S/c1-12-11-20-15(17-12)9-16-14-7-8-19(18-14)10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,16,18)
InChIKeyLFFWYMPFRGZAKY-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.31
Rot. Bonds5

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

1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine (PubChem CID 71969697) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
PubChem CID71969697
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
SMILESCc1csc(CNc2ccn(Cc3ccccc3)n2)n1
InChIInChI=1S/C15H16N4S/c1-12-11-20-15(17-12)9-16-14-7-8-19(18-14)10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,16,18)
InChIKeyLFFWYMPFRGZAKY-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine (CID 71969697) is 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine is Cc1csc(CNc2ccn(Cc3ccccc3)n2)n1.
What is the InChIKey of 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The InChIKey is LFFWYMPFRGZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-12-11-20-15(17-12)9-16-14-7-8-19(18-14)10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,16,18).
What are the key properties of 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine has a molecular weight of 284.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71969697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).