N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine

C15H19N3S — CID 54863506

IUPACN-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
SMILESc1cnn(Cc2ccc(NC3CCSCC3)cc2)c1
InChIInChI=1S/C15H19N3S/c1-8-16-18(9-1)12-13-2-4-14(5-3-13)17-15-6-10-19-11-7-15/h1-5,8-9,15,17H,6-7,10-12H2
InChIKeyBNWNMCNLBUOXNQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.24
Rot. Bonds4

About N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine

N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine (PubChem CID 54863506) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine.

Molecular Properties

Compound NameN-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
PubChem CID54863506
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
SMILESc1cnn(Cc2ccc(NC3CCSCC3)cc2)c1
InChIInChI=1S/C15H19N3S/c1-8-16-18(9-1)12-13-2-4-14(5-3-13)17-15-6-10-19-11-7-15/h1-5,8-9,15,17H,6-7,10-12H2
InChIKeyBNWNMCNLBUOXNQ-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106594322
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
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N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
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CID 60927530

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine?
The IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine (CID 54863506) is N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine.
What is the SMILES notation for N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine?
The canonical SMILES for N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine is c1cnn(Cc2ccc(NC3CCSCC3)cc2)c1.
What is the InChIKey of N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine?
The InChIKey is BNWNMCNLBUOXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-8-16-18(9-1)12-13-2-4-14(5-3-13)17-15-6-10-19-11-7-15/h1-5,8-9,15,17H,6-7,10-12H2.
What are the key properties of N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine?
N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine is sourced from PubChem (CID 54863506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).