1-(oxolan-3-ylmethyl)pyrazol-4-amine

C8H13N3O — CID 25248678

IUPAC1-(oxolan-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2CCOC2)c1
InChIInChI=1S/C8H13N3O/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h3,5,7H,1-2,4,6,9H2
InChIKeyPZKAJXOKSGTLNG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.50
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)pyrazol-4-amine

1-(oxolan-3-ylmethyl)pyrazol-4-amine (PubChem CID 25248678) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)pyrazol-4-amine
PubChem CID25248678
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(oxolan-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2CCOC2)c1
InChIInChI=1S/C8H13N3O/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h3,5,7H,1-2,4,6,9H2
InChIKeyPZKAJXOKSGTLNG-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-(2-methoxyethyl)-1H-pyrazol-4-amine
CID 42281885
1-((oxolan-2-yl)methyl)-1H-pyrazol-4-amine
CID 43185727
1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
1-((oxolan-3-yl)methyl)-1H-pyrazol-4-amine hydrochloride
CID 90484295
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
N-(3-methyloxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 68053188
3-[[1-(2-Fluoroethyl)pyrazol-4-yl]amino]oxolane-3-carbonitrile
CID 89961239
N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 115881299
1-[(3-Fluorooxetan-3-yl)methyl]pyrazol-4-amine
CID 155595426

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(oxolan-3-ylmethyl)pyrazol-4-amine (CID 25248678) is 1-(oxolan-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)pyrazol-4-amine is Nc1cnn(CC2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)pyrazol-4-amine?
The InChIKey is PZKAJXOKSGTLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h3,5,7H,1-2,4,6,9H2.
What are the key properties of 1-(oxolan-3-ylmethyl)pyrazol-4-amine?
1-(oxolan-3-ylmethyl)pyrazol-4-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 1-(oxolan-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 25248678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).