tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid

C19H34BN3O4 — CID 67320658

IUPACtert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid
SMILESCC(C)(C)N(CCCCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O
InChIInChI=1S/C19H34BN3O4/c1-17(2,3)23(16(24)25)12-10-8-9-11-22-14-15(13-21-22)20-26-18(4,5)19(6,7)27-20/h13-14H,8-12H2,1-7H3,(H,24,25)
InChIKeyLMLIMIQTXKYWOO-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.13
Rot. Bonds7

About tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid

tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid (PubChem CID 67320658) has the molecular formula C19H34BN3O4 and a molecular weight of 379.31 g/mol. Its IUPAC name is tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid
PubChem CID67320658
Molecular FormulaC19H34BN3O4
Molecular Weight379.31 g/mol
Exact Mass379.26
IUPAC Nametert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid
SMILESCC(C)(C)N(CCCCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O
InChIInChI=1S/C19H34BN3O4/c1-17(2,3)23(16(24)25)12-10-8-9-11-22-14-15(13-21-22)20-26-18(4,5)19(6,7)27-20/h13-14H,8-12H2,1-7H3,(H,24,25)
InChIKeyLMLIMIQTXKYWOO-UHFFFAOYSA-N
XLogP3.13
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid 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-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid?
The IUPAC name of tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid (CID 67320658) is tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid.
What is the SMILES notation for tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid?
The canonical SMILES for tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid is CC(C)(C)N(CCCCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O.
What is the InChIKey of tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid?
The InChIKey is LMLIMIQTXKYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34BN3O4/c1-17(2,3)23(16(24)25)12-10-8-9-11-22-14-15(13-21-22)20-26-18(4,5)19(6,7)27-20/h13-14H,8-12H2,1-7H3,(H,24,25).
What are the key properties of tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid?
tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid has a molecular weight of 379.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pentyl]carbamic acid is sourced from PubChem (CID 67320658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).