5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile

C18H18N4 — CID 100762155

IUPAC5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
SMILESCCCn1nc(Cc2cccc3ccccc23)c(C#N)c1N
InChIInChI=1S/C18H18N4/c1-2-10-22-18(20)16(12-19)17(21-22)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-11,20H2,1H3
InChIKeyIAUFXYJPPSNYDK-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.49
Rot. Bonds4

About 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile

5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile (PubChem CID 100762155) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
PubChem CID100762155
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
SMILESCCCn1nc(Cc2cccc3ccccc23)c(C#N)c1N
InChIInChI=1S/C18H18N4/c1-2-10-22-18(20)16(12-19)17(21-22)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-11,20H2,1H3
InChIKeyIAUFXYJPPSNYDK-UHFFFAOYSA-N
XLogP3.49
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766456
5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766531
5-amino-1-butyl-3-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762457
5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766461
5-amino-1-ethyl-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100761997
5-amino-3-[(4-chlorophenyl)methyl]-1-propylpyrazole-4-carbonitrile
CID 100762129
5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766310
5-amino-3-[(4-bromophenyl)methyl]-1-pentylpyrazole-4-carbonitrile
CID 100763466
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764522
5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762004
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
5-amino-1,3-bis[(3-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765635

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile (CID 100762155) is 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile is CCCn1nc(Cc2cccc3ccccc23)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile?
The InChIKey is IAUFXYJPPSNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-10-22-18(20)16(12-19)17(21-22)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-11,20H2,1H3.
What are the key properties of 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile?
5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile is sourced from PubChem (CID 100762155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).