2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile

C14H17N5 — CID 104587038

IUPAC2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
SMILESCC(C)(C#N)CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H17N5/c1-14(2,9-15)10-17-7-12-8-18-19-13(12)11-4-3-5-16-6-11/h3-6,8,17H,7,10H2,1-2H3,(H,18,19)
InChIKeyRUMPAGGVLCTQAX-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.11
Rot. Bonds5

About 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile

2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile (PubChem CID 104587038) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
PubChem CID104587038
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
SMILESCC(C)(C#N)CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H17N5/c1-14(2,9-15)10-17-7-12-8-18-19-13(12)11-4-3-5-16-6-11/h3-6,8,17H,7,10H2,1-2H3,(H,18,19)
InChIKeyRUMPAGGVLCTQAX-UHFFFAOYSA-N
XLogP2.11
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 95148273
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 115989344
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile (CID 104587038) is 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile is CC(C)(C#N)CNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile?
The InChIKey is RUMPAGGVLCTQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-14(2,9-15)10-17-7-12-8-18-19-13(12)11-4-3-5-16-6-11/h3-6,8,17H,7,10H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile?
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile has a molecular weight of 255.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile is sourced from PubChem (CID 104587038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).