4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile

C11H18N4 — CID 71851060

IUPAC4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile
SMILESCn1ccc(NCC(C)(C)CCC#N)n1
InChIInChI=1S/C11H18N4/c1-11(2,6-4-7-12)9-13-10-5-8-15(3)14-10/h5,8H,4,6,9H2,1-3H3,(H,13,14)
InChIKeyKUBPEEOMPWASEK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds5

About 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile

4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile (PubChem CID 71851060) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile
PubChem CID71851060
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile
SMILESCn1ccc(NCC(C)(C)CCC#N)n1
InChIInChI=1S/C11H18N4/c1-11(2,6-4-7-12)9-13-10-5-8-15(3)14-10/h5,8H,4,6,9H2,1-3H3,(H,13,14)
InChIKeyKUBPEEOMPWASEK-UHFFFAOYSA-N
XLogP2.16
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile (CID 71851060) is 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile is Cn1ccc(NCC(C)(C)CCC#N)n1.
What is the InChIKey of 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile?
The InChIKey is KUBPEEOMPWASEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2,6-4-7-12)9-13-10-5-8-15(3)14-10/h5,8H,4,6,9H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile?
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile has a molecular weight of 206.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile is sourced from PubChem (CID 71851060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).