1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile

C13H20N4 — CID 105491775

IUPAC1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
SMILESCC(C)(C)N1CCCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C13H20N4/c1-13(2,3)16-6-4-5-12(10-16)17-9-11(7-14)8-15-17/h8-9,12H,4-6,10H2,1-3H3
InChIKeyBJXBROPDBIWGQN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.19
Rot. Bonds1

About 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile

1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile (PubChem CID 105491775) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
PubChem CID105491775
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
SMILESCC(C)(C)N1CCCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C13H20N4/c1-13(2,3)16-6-4-5-12(10-16)17-9-11(7-14)8-15-17/h8-9,12H,4-6,10H2,1-3H3
InChIKeyBJXBROPDBIWGQN-UHFFFAOYSA-N
XLogP2.19
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile 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

1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 172557595
1-(1-tert-butylpyrrolidin-3-yl)pyrazole-4-carbaldehyde
CID 105477924
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947667
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947684
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile (CID 105491775) is 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile is CC(C)(C)N1CCCC(n2cc(C#N)cn2)C1.
What is the InChIKey of 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile?
The InChIKey is BJXBROPDBIWGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2,3)16-6-4-5-12(10-16)17-9-11(7-14)8-15-17/h8-9,12H,4-6,10H2,1-3H3.
What are the key properties of 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile?
1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 105491775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).