(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine

C16H24N4O2 — CID 167823864

IUPAC(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
SMILESCOCCn1cc([C@H]2OCC[C@@H]2NCc2cccn2C)cn1
InChIInChI=1S/C16H24N4O2/c1-19-6-3-4-14(19)11-17-15-5-8-22-16(15)13-10-18-20(12-13)7-9-21-2/h3-4,6,10,12,15-17H,5,7-9,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyYZNIILPMKKHELS-JKSUJKDBSA-N
MW304.39 g/mol
LogP1.49
Rot. Bonds7

About (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine

(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine (PubChem CID 167823864) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
PubChem CID167823864
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
SMILESCOCCn1cc([C@H]2OCC[C@@H]2NCc2cccn2C)cn1
InChIInChI=1S/C16H24N4O2/c1-19-6-3-4-14(19)11-17-15-5-8-22-16(15)13-10-18-20(12-13)7-9-21-2/h3-4,6,10,12,15-17H,5,7-9,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyYZNIILPMKKHELS-JKSUJKDBSA-N
XLogP1.49
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
(2R,3S)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129001325
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128965082
(2R,3S)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129005833
(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
CID 138002359
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 128995423
(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
CID 59436642
(2S,3S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
CID 129323561

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine?
The IUPAC name of (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine (CID 167823864) is (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine is COCCn1cc([C@H]2OCC[C@@H]2NCc2cccn2C)cn1.
What is the InChIKey of (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine?
The InChIKey is YZNIILPMKKHELS-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-6-3-4-14(19)11-17-15-5-8-22-16(15)13-10-18-20(12-13)7-9-21-2/h3-4,6,10,12,15-17H,5,7-9,11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine?
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine has a molecular weight of 304.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 167823864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).