2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile

C9H14N4 — CID 130709441

IUPAC2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile
SMILESCC(C)c1cc(N(C)CC#N)n[nH]1
InChIInChI=1S/C9H14N4/c1-7(2)8-6-9(12-11-8)13(3)5-4-10/h6-7H,5H2,1-3H3,(H,11,12)
InChIKeyQRVNXENSVXSMRS-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.49
Rot. Bonds3

About 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile

2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile (PubChem CID 130709441) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile
PubChem CID130709441
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile
SMILESCC(C)c1cc(N(C)CC#N)n[nH]1
InChIInChI=1S/C9H14N4/c1-7(2)8-6-9(12-11-8)13(3)5-4-10/h6-7H,5H2,1-3H3,(H,11,12)
InChIKeyQRVNXENSVXSMRS-UHFFFAOYSA-N
XLogP1.49
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile 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

2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol
CID 111462314
1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 71868940
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266206
2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116973901
2-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]acetonitrile
CID 116973883
2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266208
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetonitrile
CID 117044726
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115747739
2-(N,3,5-trimethylanilino)acetonitrile
CID 61036155
5-propan-2-yl-3-(trichloromethyl)-1H-pyrazole
CID 10900368

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile (CID 130709441) is 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile is CC(C)c1cc(N(C)CC#N)n[nH]1.
What is the InChIKey of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile?
The InChIKey is QRVNXENSVXSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7(2)8-6-9(12-11-8)13(3)5-4-10/h6-7H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile?
2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile has a molecular weight of 178.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]acetonitrile is sourced from PubChem (CID 130709441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).