2-(oxolan-3-ylmethyl)pyrazol-3-amine

C8H13N3O — CID 16783657

IUPAC2-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1CC1CCOC1
InChIInChI=1S/C8H13N3O/c9-8-1-3-10-11(8)5-7-2-4-12-6-7/h1,3,7H,2,4-6,9H2
InChIKeyULUVRBKBIJMHJF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.50
Rot. Bonds2

About 2-(oxolan-3-ylmethyl)pyrazol-3-amine

2-(oxolan-3-ylmethyl)pyrazol-3-amine (PubChem CID 16783657) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)pyrazol-3-amine
PubChem CID16783657
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1CC1CCOC1
InChIInChI=1S/C8H13N3O/c9-8-1-3-10-11(8)5-7-2-4-12-6-7/h1,3,7H,2,4-6,9H2
InChIKeyULUVRBKBIJMHJF-UHFFFAOYSA-N
XLogP0.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((oxolan-3-yl)methyl)-1H-pyrazol-3-amine
CID 61312633
1-[(Oxan-4-yl)methyl]-1H-pyrazol-3-amine
CID 62385497
1-(oxolan-3-yl)-1H-pyrazol-5-amine
CID 63335329
1-(Cyclobutylmethyl)-1H-pyrazol-5-amine
CID 80486646
1-(4-methoxybutyl)-1H-pyrazol-3-amine
CID 112756248
1-(3-Methylbutyl)-1H-pyrazol-5-amine
CID 13560438
N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide
CID 97209246
(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 97278532
1-(3-(2,2,2-Trifluoroethoxy)propyl)-1h-pyrazol-3-amine
CID 61491349
1-[3-(2,2-Difluoroethoxy)propyl]pyrazol-3-amine
CID 82005340
1-[3-(4,4,4-Trifluorobutoxy)propyl]pyrazol-3-amine
CID 82789571
1-[3-(3,3,3-Trifluoropropoxy)propyl]pyrazol-3-amine
CID 82955988

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(oxolan-3-ylmethyl)pyrazol-3-amine (CID 16783657) is 2-(oxolan-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(oxolan-3-ylmethyl)pyrazol-3-amine is Nc1ccnn1CC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The InChIKey is ULUVRBKBIJMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-1-3-10-11(8)5-7-2-4-12-6-7/h1,3,7H,2,4-6,9H2.
What are the key properties of 2-(oxolan-3-ylmethyl)pyrazol-3-amine?
2-(oxolan-3-ylmethyl)pyrazol-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 16783657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).