1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

C17H24N4O2 — CID 154761301

IUPAC1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2cccnc2OC)cn1
InChIInChI=1S/C17H24N4O2/c1-3-21-12-15(11-20-21)16-13(6-8-23-16)9-18-10-14-5-4-7-19-17(14)22-2/h4-5,7,11-13,16,18H,3,6,8-10H2,1-2H3/t13-,16+/m1/s1
InChIKeyCIJKHWMPKBMIIN-CJNGLKHVSA-N
MW316.40 g/mol
LogP2.17
Rot. Bonds7

About 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (PubChem CID 154761301) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
PubChem CID154761301
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2cccnc2OC)cn1
InChIInChI=1S/C17H24N4O2/c1-3-21-12-15(11-20-21)16-13(6-8-23-16)9-18-10-14-5-4-7-19-17(14)22-2/h4-5,7,11-13,16,18H,3,6,8-10H2,1-2H3/t13-,16+/m1/s1
InChIKeyCIJKHWMPKBMIIN-CJNGLKHVSA-N
XLogP2.17
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96997518
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
N-[(2,4-dimethoxyphenyl)methyl]-1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929102
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510842
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (CID 154761301) is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is CCn1cc([C@H]2OCC[C@@H]2CNCc2cccnc2OC)cn1.
What is the InChIKey of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is CIJKHWMPKBMIIN-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-21-12-15(11-20-21)16-13(6-8-23-16)9-18-10-14-5-4-7-19-17(14)22-2/h4-5,7,11-13,16,18H,3,6,8-10H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 154761301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).