3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine

C13H24N4 — CID 105498211

IUPAC3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)(C)N1CC(n2cc(CCCN)cn2)C1
InChIInChI=1S/C13H24N4/c1-13(2,3)16-9-12(10-16)17-8-11(7-15-17)5-4-6-14/h7-8,12H,4-6,9-10,14H2,1-3H3
InChIKeyWLNWDUIVXCIDSU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.43
Rot. Bonds4

About 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine

3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 105498211) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine
PubChem CID105498211
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)(C)N1CC(n2cc(CCCN)cn2)C1
InChIInChI=1S/C13H24N4/c1-13(2,3)16-9-12(10-16)17-8-11(7-15-17)5-4-6-14/h7-8,12H,4-6,9-10,14H2,1-3H3
InChIKeyWLNWDUIVXCIDSU-UHFFFAOYSA-N
XLogP1.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764974
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105465402
4-[4-(2-aminoethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 84734373
2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
CID 63937711
N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 105481100
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
3-(1-cycloheptylpyrazol-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62719507
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine (CID 105498211) is 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine is CC(C)(C)N1CC(n2cc(CCCN)cn2)C1.
What is the InChIKey of 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is WLNWDUIVXCIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)16-9-12(10-16)17-8-11(7-15-17)5-4-6-14/h7-8,12H,4-6,9-10,14H2,1-3H3.
What are the key properties of 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine?
3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 105498211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).