2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile

C14H23N5 — CID 165457671

IUPAC2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile
SMILESCN1CCC(N(C)Cc2nn(C)cc2CC#N)CC1
InChIInChI=1S/C14H23N5/c1-17-8-5-13(6-9-17)18(2)11-14-12(4-7-15)10-19(3)16-14/h10,13H,4-6,8-9,11H2,1-3H3
InChIKeyODYXIEWTMFGFIL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile

2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile (PubChem CID 165457671) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile
PubChem CID165457671
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile
SMILESCN1CCC(N(C)Cc2nn(C)cc2CC#N)CC1
InChIInChI=1S/C14H23N5/c1-17-8-5-13(6-9-17)18(2)11-14-12(4-7-15)10-19(3)16-14/h10,13H,4-6,8-9,11H2,1-3H3
InChIKeyODYXIEWTMFGFIL-UHFFFAOYSA-N
XLogP1.01
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile?
The IUPAC name of 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile (CID 165457671) is 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile?
The canonical SMILES for 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile is CN1CCC(N(C)Cc2nn(C)cc2CC#N)CC1.
What is the InChIKey of 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile?
The InChIKey is ODYXIEWTMFGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-17-8-5-13(6-9-17)18(2)11-14-12(4-7-15)10-19(3)16-14/h10,13H,4-6,8-9,11H2,1-3H3.
What are the key properties of 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile?
2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyrazol-4-yl]acetonitrile is sourced from PubChem (CID 165457671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).