1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine

C16H17N3 — CID 82536261

IUPAC1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1Nc1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-11-16(12(2)19(3)18-11)17-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,17H,1-3H3
InChIKeyIVMCUQKXOIENSC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds2

About 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine

1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine (PubChem CID 82536261) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine
PubChem CID82536261
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1Nc1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-11-16(12(2)19(3)18-11)17-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,17H,1-3H3
InChIKeyIVMCUQKXOIENSC-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
1,3,5-trimethyl-N-phenylpyrazol-4-amine
CID 82537419
4-methyl-N-naphthalen-1-ylphthalazin-1-amine
CID 1387760
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029077
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-naphthalen-1-ylacetate
CID 9412783
N-(1,3,5-trimethylpyrazol-4-yl)pyridin-3-amine
CID 82537515
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
CID 175869356
N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine
CID 129173858
5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63752319
2-methyl-1-(naphthalen-1-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952835
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine (CID 82536261) is 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine is Cc1nn(C)c(C)c1Nc1cccc2ccccc12.
What is the InChIKey of 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine?
The InChIKey is IVMCUQKXOIENSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-16(12(2)19(3)18-11)17-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,17H,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine?
1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine has a molecular weight of 251.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine is sourced from PubChem (CID 82536261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).