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

C11H18N4 — CID 115653208

IUPAC4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile
SMILESCn1cc(NCC(C)(C)CCC#N)cn1
InChIInChI=1S/C11H18N4/c1-11(2,5-4-6-12)9-13-10-7-14-15(3)8-10/h7-8,13H,4-5,9H2,1-3H3
InChIKeyPWQUNMWSNRONHR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds5

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

4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile (PubChem CID 115653208) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile
PubChem CID115653208
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile
SMILESCn1cc(NCC(C)(C)CCC#N)cn1
InChIInChI=1S/C11H18N4/c1-11(2,5-4-6-12)9-13-10-7-14-15(3)8-10/h7-8,13H,4-5,9H2,1-3H3
InChIKeyPWQUNMWSNRONHR-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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Related Compounds

2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 114493356
5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
CID 115751673
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381
N-[4-[(4-cyano-2,2-dimethylbutyl)amino]phenyl]methanesulfonamide
CID 115743549
2-[4-[[(1-methylpyrazol-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43776610
3-[[(1-methylpyrazol-4-yl)amino]methyl]benzonitrile
CID 43534977
1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-4-amine
CID 103568741
N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
CID 130614621
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 79771007
tert-butyl N-[4-[(4-cyano-2,2-dimethylbutyl)amino]phenyl]carbamate
CID 103818452
5-(2-fluoro-5-methylanilino)-4,4-dimethylpentanenitrile
CID 113342585

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile (CID 115653208) is 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile is Cn1cc(NCC(C)(C)CCC#N)cn1.
What is the InChIKey of 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile?
The InChIKey is PWQUNMWSNRONHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2,5-4-6-12)9-13-10-7-14-15(3)8-10/h7-8,13H,4-5,9H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile?
4,4-dimethyl-5-[(1-methylpyrazol-4-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-4-yl)amino]pentanenitrile is sourced from PubChem (CID 115653208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).