1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine

C11H19N3O — CID 62730979

IUPAC1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CC2CCCO2)c1
InChIInChI=1S/C11H19N3O/c1-9(12)5-10-6-13-14(7-10)8-11-3-2-4-15-11/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeySMRBFOUEHSDEGK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.95
Rot. Bonds4

About 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine

1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 62730979) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
PubChem CID62730979
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CC2CCCO2)c1
InChIInChI=1S/C11H19N3O/c1-9(12)5-10-6-13-14(7-10)8-11-3-2-4-15-11/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeySMRBFOUEHSDEGK-UHFFFAOYSA-N
XLogP0.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
(3S,4S)-3-amino-4-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]azetidin-2-one
CID 129413389
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine (CID 62730979) is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine is CC(N)Cc1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is SMRBFOUEHSDEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)5-10-6-13-14(7-10)8-11-3-2-4-15-11/h6-7,9,11H,2-5,8,12H2,1H3.
What are the key properties of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine?
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 62730979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).