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

C19H20N4 — CID 100766456

IUPAC5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCCCCc1nn(Cc2cccc3ccccc23)c(N)c1C#N
InChIInChI=1S/C19H20N4/c1-2-3-11-18-17(12-20)19(21)23(22-18)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,2-3,11,13,21H2,1H3
InChIKeyFCPUDDGBWHOVKS-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.88
Rot. Bonds5

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

5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (PubChem CID 100766456) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
PubChem CID100766456
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCCCCc1nn(Cc2cccc3ccccc23)c(N)c1C#N
InChIInChI=1S/C19H20N4/c1-2-3-11-18-17(12-20)19(21)23(22-18)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,2-3,11,13,21H2,1H3
InChIKeyFCPUDDGBWHOVKS-UHFFFAOYSA-N
XLogP3.88
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766461
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-butyl-3-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762457
5-amino-1-[(2-fluorophenyl)methyl]-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 100764700
[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 82203789
5-amino-1-[(3,4-dichlorophenyl)methyl]-3-propylpyrazole-4-carbonitrile
CID 100765984
5-amino-1-ethyl-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100761997
1-butylnaphthalene;ethane
CID 142087052
2-amino-5-butylpyrazolo[5,1-a]isoquinoline-1-carbonitrile
CID 139190722
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
azane;1-butylnaphthalene;methane
CID 174691035

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (CID 100766456) is 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is CCCCc1nn(Cc2cccc3ccccc23)c(N)c1C#N.
What is the InChIKey of 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The InChIKey is FCPUDDGBWHOVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-3-11-18-17(12-20)19(21)23(22-18)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,2-3,11,13,21H2,1H3.
What are the key properties of 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100766456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).