1-methyl-5-(pentylamino)pyrazole-4-carbonitrile

C10H16N4 — CID 67745229

IUPAC1-methyl-5-(pentylamino)pyrazole-4-carbonitrile
SMILESCCCCCNc1c(C#N)cnn1C
InChIInChI=1S/C10H16N4/c1-3-4-5-6-12-10-9(7-11)8-13-14(10)2/h8,12H,3-6H2,1-2H3
InChIKeyLAVPHQIXRXMIJB-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.89
Rot. Bonds5

About 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile

1-methyl-5-(pentylamino)pyrazole-4-carbonitrile (PubChem CID 67745229) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(pentylamino)pyrazole-4-carbonitrile
PubChem CID67745229
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-methyl-5-(pentylamino)pyrazole-4-carbonitrile
SMILESCCCCCNc1c(C#N)cnn1C
InChIInChI=1S/C10H16N4/c1-3-4-5-6-12-10-9(7-11)8-13-14(10)2/h8,12H,3-6H2,1-2H3
InChIKeyLAVPHQIXRXMIJB-UHFFFAOYSA-N
XLogP1.89
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile?
The IUPAC name of 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile (CID 67745229) is 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile is CCCCCNc1c(C#N)cnn1C.
What is the InChIKey of 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile?
The InChIKey is LAVPHQIXRXMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-4-5-6-12-10-9(7-11)8-13-14(10)2/h8,12H,3-6H2,1-2H3.
What are the key properties of 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile?
1-methyl-5-(pentylamino)pyrazole-4-carbonitrile has a molecular weight of 192.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pentylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 67745229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).