(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine

C16H25N5O — CID 129005127

IUPAC(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine
SMILESCCc1nn(C)cc1CN[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C16H25N5O/c1-5-14-12(10-20(3)19-14)8-17-15-6-7-22-16(15)13-9-18-21(4)11(13)2/h9-10,15-17H,5-8H2,1-4H3/t15-,16+/m0/s1
InChIKeyOXTDCSCIBXFIFD-JKSUJKDBSA-N
MW303.41 g/mol
LogP1.64
Rot. Bonds5

About (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine

(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine (PubChem CID 129005127) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine
PubChem CID129005127
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine
SMILESCCc1nn(C)cc1CN[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C16H25N5O/c1-5-14-12(10-20(3)19-14)8-17-15-6-7-22-16(15)13-9-18-21(4)11(13)2/h9-10,15-17H,5-8H2,1-4H3/t15-,16+/m0/s1
InChIKeyOXTDCSCIBXFIFD-JKSUJKDBSA-N
XLogP1.64
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 129005082
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
CID 129005026
1-[[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-4-methylcyclohexan-1-ol
CID 129005549
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 128976639
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine (CID 129005127) is (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine is CCc1nn(C)cc1CN[C@H]1CCO[C@@H]1c1cnn(C)c1C.
What is the InChIKey of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is OXTDCSCIBXFIFD-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-14-12(10-20(3)19-14)8-17-15-6-7-22-16(15)13-9-18-21(4)11(13)2/h9-10,15-17H,5-8H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine?
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 303.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 129005127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).