1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile

C14H24N4 — CID 63752846

IUPAC1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile
SMILESCCCCCN(c1c(C#N)c(C)nn1C)C(C)C
InChIInChI=1S/C14H24N4/c1-6-7-8-9-18(11(2)3)14-13(10-15)12(4)16-17(14)5/h11H,6-9H2,1-5H3
InChIKeyKVCHVHNAUWOYIC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds6

About 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile (PubChem CID 63752846) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile
PubChem CID63752846
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile
SMILESCCCCCN(c1c(C#N)c(C)nn1C)C(C)C
InChIInChI=1S/C14H24N4/c1-6-7-8-9-18(11(2)3)14-13(10-15)12(4)16-17(14)5/h11H,6-9H2,1-5H3
InChIKeyKVCHVHNAUWOYIC-UHFFFAOYSA-N
XLogP3.01
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
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 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile (CID 63752846) is 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile is CCCCCN(c1c(C#N)c(C)nn1C)C(C)C.
What is the InChIKey of 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
The InChIKey is KVCHVHNAUWOYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-6-7-8-9-18(11(2)3)14-13(10-15)12(4)16-17(14)5/h11H,6-9H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63752846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).