(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine

C14H21N5O — CID 128976560

IUPAC(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCCn1nccc1CN[C@H]1CCO[C@@H]1c1ccnn1C
InChIInChI=1S/C14H21N5O/c1-3-19-11(4-7-17-19)10-15-12-6-9-20-14(12)13-5-8-16-18(13)2/h4-5,7-8,12,14-15H,3,6,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyOBEKWEKEZKMTOF-JSGCOSHPSA-N
MW275.36 g/mol
LogP1.26
Rot. Bonds5

About (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine

(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine (PubChem CID 128976560) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
PubChem CID128976560
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCCn1nccc1CN[C@H]1CCO[C@@H]1c1ccnn1C
InChIInChI=1S/C14H21N5O/c1-3-19-11(4-7-17-19)10-15-12-6-9-20-14(12)13-5-8-16-18(13)2/h4-5,7-8,12,14-15H,3,6,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyOBEKWEKEZKMTOF-JSGCOSHPSA-N
XLogP1.26
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine
CID 128976480
(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976655
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine
CID 154743177
N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115762388
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
(3aR,4S,6aR)-2-benzyl-N-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854124
(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine
CID 128976609
2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
CID 104586979
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine (CID 128976560) is (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine is CCn1nccc1CN[C@H]1CCO[C@@H]1c1ccnn1C.
What is the InChIKey of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is OBEKWEKEZKMTOF-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-19-11(4-7-17-19)10-15-12-6-9-20-14(12)13-5-8-16-18(13)2/h4-5,7-8,12,14-15H,3,6,9-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 275.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 128976560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).