tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate

C19H34N4O2 — CID 72621445

IUPACtert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate
SMILESCc1nn(CC(C)NC(=O)OC(C)(C)C)c(C)c1CC1CCNCC1
InChIInChI=1S/C19H34N4O2/c1-13(21-18(24)25-19(4,5)6)12-23-15(3)17(14(2)22-23)11-16-7-9-20-10-8-16/h13,16,20H,7-12H2,1-6H3,(H,21,24)
InChIKeyLQJPNCBBBVWGKH-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate (PubChem CID 72621445) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate
PubChem CID72621445
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Nametert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate
SMILESCc1nn(CC(C)NC(=O)OC(C)(C)C)c(C)c1CC1CCNCC1
InChIInChI=1S/C19H34N4O2/c1-13(21-18(24)25-19(4,5)6)12-23-15(3)17(14(2)22-23)11-16-7-9-20-10-8-16/h13,16,20H,7-12H2,1-6H3,(H,21,24)
InChIKeyLQJPNCBBBVWGKH-UHFFFAOYSA-N
XLogP2.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate (CID 72621445) is tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate is Cc1nn(CC(C)NC(=O)OC(C)(C)C)c(C)c1CC1CCNCC1.
What is the InChIKey of tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate?
The InChIKey is LQJPNCBBBVWGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-13(21-18(24)25-19(4,5)6)12-23-15(3)17(14(2)22-23)11-16-7-9-20-10-8-16/h13,16,20H,7-12H2,1-6H3,(H,21,24).
What are the key properties of tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate has a molecular weight of 350.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 72621445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).