3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid

C11H20N4O2 — CID 66765433

IUPAC3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCCn1cc(N)cn1)C(=O)O
InChIInChI=1S/C11H20N4O2/c1-11(2,3)15(10(16)17)6-4-5-14-8-9(12)7-13-14/h7-8H,4-6,12H2,1-3H3,(H,16,17)
InChIKeyMBOIQABRKVMXOG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.63
Rot. Bonds4

About 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid

3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid (PubChem CID 66765433) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid
PubChem CID66765433
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCCn1cc(N)cn1)C(=O)O
InChIInChI=1S/C11H20N4O2/c1-11(2,3)15(10(16)17)6-4-5-14-8-9(12)7-13-14/h7-8H,4-6,12H2,1-3H3,(H,16,17)
InChIKeyMBOIQABRKVMXOG-UHFFFAOYSA-N
XLogP1.63
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid?
The IUPAC name of 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid (CID 66765433) is 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid.
What is the SMILES notation for 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid?
The canonical SMILES for 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid is CC(C)(C)N(CCCn1cc(N)cn1)C(=O)O.
What is the InChIKey of 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid?
The InChIKey is MBOIQABRKVMXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)15(10(16)17)6-4-5-14-8-9(12)7-13-14/h7-8H,4-6,12H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid?
3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid has a molecular weight of 240.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazol-1-yl)propyl-tert-butylcarbamic acid is sourced from PubChem (CID 66765433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).