5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine

C9H15N3O — CID 165471860

IUPAC5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1C[C@H]1CCCO1
InChIInChI=1S/C9H15N3O/c1-7-5-9(10)11-12(7)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3,(H2,10,11)/t8-/m1/s1
InChIKeyGAGXHEWDRBXWHI-MRVPVSSYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds2

About 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine

5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine (PubChem CID 165471860) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
PubChem CID165471860
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1C[C@H]1CCCO1
InChIInChI=1S/C9H15N3O/c1-7-5-9(10)11-12(7)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3,(H2,10,11)/t8-/m1/s1
InChIKeyGAGXHEWDRBXWHI-MRVPVSSYSA-N
XLogP0.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 66642895
5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine
CID 124842731
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82702523
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83818730
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
5-methyl-1-(oxan-4-yloxymethyl)pyrazol-3-amine
CID 165481943
5,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95095149
N,N-dimethyl-2-(oxolan-2-ylmethyl)pyrazol-3-amine
CID 142163207
3,5-dibromo-1-(oxan-2-ylmethyl)pyrazole
CID 114692402

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine (CID 165471860) is 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine is Cc1cc(N)nn1C[C@H]1CCCO1.
What is the InChIKey of 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine?
The InChIKey is GAGXHEWDRBXWHI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-5-9(10)11-12(7)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3,(H2,10,11)/t8-/m1/s1.
What are the key properties of 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine?
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 165471860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).