4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine

C11H20N4 — CID 79678192

IUPAC4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine
SMILESCC(C)(C)C1CN(Cc2cn[nH]c2N)C1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-6-15(7-9)5-8-4-13-14-10(8)12/h4,9H,5-7H2,1-3H3,(H3,12,13,14)
InChIKeyCBXZKGSCXALQSW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.47
Rot. Bonds2

About 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine

4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine (PubChem CID 79678192) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine
PubChem CID79678192
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine
SMILESCC(C)(C)C1CN(Cc2cn[nH]c2N)C1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-6-15(7-9)5-8-4-13-14-10(8)12/h4,9H,5-7H2,1-3H3,(H3,12,13,14)
InChIKeyCBXZKGSCXALQSW-UHFFFAOYSA-N
XLogP1.47
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine (CID 79678192) is 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine is CC(C)(C)C1CN(Cc2cn[nH]c2N)C1.
What is the InChIKey of 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
The InChIKey is CBXZKGSCXALQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)9-6-15(7-9)5-8-4-13-14-10(8)12/h4,9H,5-7H2,1-3H3,(H3,12,13,14).
What are the key properties of 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine has a molecular weight of 208.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butylazetidin-1-yl)methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 79678192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).