(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine

C16H17N3 — CID 105141685

IUPAC(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine
SMILESCc1c(C(N)c2ccc3ccccc3c2)cnn1C
InChIInChI=1S/C16H17N3/c1-11-15(10-18-19(11)2)16(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,16H,17H2,1-2H3
InChIKeyCFLLRTPTZQXMED-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.93
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine

(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine (PubChem CID 105141685) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine
PubChem CID105141685
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine
SMILESCc1c(C(N)c2ccc3ccccc3c2)cnn1C
InChIInChI=1S/C16H17N3/c1-11-15(10-18-19(11)2)16(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,16H,17H2,1-2H3
InChIKeyCFLLRTPTZQXMED-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindol-3-yl)-naphthalen-2-ylmethanamine
CID 101394090
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 105170979
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
1-naphthalen-2-ylethanamine
CID 3857145
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
CID 105173057

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine (CID 105141685) is (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine is Cc1c(C(N)c2ccc3ccccc3c2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine?
The InChIKey is CFLLRTPTZQXMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-15(10-18-19(11)2)16(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,16H,17H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine?
(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine is sourced from PubChem (CID 105141685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).