5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile

C12H20N4 — CID 115751673

IUPAC5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
SMILESCc1cc(NCC(C)(C)CCC#N)nn1C
InChIInChI=1S/C12H20N4/c1-10-8-11(15-16(10)4)14-9-12(2,3)6-5-7-13/h8H,5-6,9H2,1-4H3,(H,14,15)
InChIKeyUUOGPLFUXKTBIL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.47
Rot. Bonds5

About 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile

5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile (PubChem CID 115751673) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
PubChem CID115751673
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
SMILESCc1cc(NCC(C)(C)CCC#N)nn1C
InChIInChI=1S/C12H20N4/c1-10-8-11(15-16(10)4)14-9-12(2,3)6-5-7-13/h8H,5-6,9H2,1-4H3,(H,14,15)
InChIKeyUUOGPLFUXKTBIL-UHFFFAOYSA-N
XLogP2.47
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381
4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
CID 115652749
4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile
CID 115653208
5-(2-fluoro-5-methylanilino)-4,4-dimethylpentanenitrile
CID 113342585
5-(2,3-dimethylanilino)-4,4-dimethylpentanenitrile
CID 113346785
4,4-dimethyl-5-(3-methylanilino)pentanenitrile
CID 115671109
4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile
CID 115743436
2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114253532
5-(2,4-dimethoxyanilino)-4,4-dimethylpentanenitrile
CID 115884039
(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523879
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile (CID 115751673) is 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile is Cc1cc(NCC(C)(C)CCC#N)nn1C.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile?
The InChIKey is UUOGPLFUXKTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-8-11(15-16(10)4)14-9-12(2,3)6-5-7-13/h8H,5-6,9H2,1-4H3,(H,14,15).
What are the key properties of 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile?
5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile has a molecular weight of 220.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115751673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).