2-(naphthalen-1-ylmethyl)pyrazol-3-amine

C14H13N3 — CID 12597365

IUPAC2-(naphthalen-1-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1Cc1cccc2ccccc12
InChIInChI=1S/C14H13N3/c15-14-8-9-16-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10,15H2
InChIKeyXDFCSRDDAZVANV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.67
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)pyrazol-3-amine

2-(naphthalen-1-ylmethyl)pyrazol-3-amine (PubChem CID 12597365) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)pyrazol-3-amine
PubChem CID12597365
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(naphthalen-1-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1Cc1cccc2ccccc12
InChIInChI=1S/C14H13N3/c15-14-8-9-16-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10,15H2
InChIKeyXDFCSRDDAZVANV-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine
CID 82203830
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692237
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422
2-iodo-1-(naphthalen-1-ylmethyl)imidazole
CID 102402216
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 55779858
5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766461
naphthalen-1-ylmethylhydrazine;hydrochloride
CID 71656108
methyl 3-amino-1-(naphthalen-1-ylmethyl)pyrazole-4-carboxylate
CID 122171697
5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766531
5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766456

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)pyrazol-3-amine (CID 12597365) is 2-(naphthalen-1-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)pyrazol-3-amine is Nc1ccnn1Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)pyrazol-3-amine?
The InChIKey is XDFCSRDDAZVANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-14-8-9-16-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10,15H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)pyrazol-3-amine?
2-(naphthalen-1-ylmethyl)pyrazol-3-amine has a molecular weight of 223.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 12597365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).