5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile

C19H20N4 — CID 100766461

IUPAC5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCC(C)Cc1nn(Cc2cccc3ccccc23)c(N)c1C#N
InChIInChI=1S/C19H20N4/c1-13(2)10-18-17(11-20)19(21)23(22-18)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10,12,21H2,1-2H3
InChIKeyKAULJDGXFVMPBZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.74
Rot. Bonds4

About 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile

5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (PubChem CID 100766461) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
PubChem CID100766461
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCC(C)Cc1nn(Cc2cccc3ccccc23)c(N)c1C#N
InChIInChI=1S/C19H20N4/c1-13(2)10-18-17(11-20)19(21)23(22-18)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10,12,21H2,1-2H3
InChIKeyKAULJDGXFVMPBZ-UHFFFAOYSA-N
XLogP3.74
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.74
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-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
CID 100762155
5-amino-1-[(2-fluorophenyl)methyl]-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 100764700
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766310
5-amino-3-[(4-bromophenyl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764754
5-amino-1-ethyl-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100761997
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764522
5-amino-1,3-bis[(3-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765635
5-amino-1-benzyl-3-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100764085
2-(naphthalen-1-ylmethyl)pyrazol-3-amine
CID 12597365

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (CID 100766461) is 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is CC(C)Cc1nn(Cc2cccc3ccccc23)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The InChIKey is KAULJDGXFVMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13(2)10-18-17(11-20)19(21)23(22-18)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10,12,21H2,1-2H3.
What are the key properties of 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100766461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).