1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine

C15H22N4O — CID 97075757

IUPAC1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCn1cc([C@@H]2OCC[C@H]2CNCc2cccn2C)cn1
InChIInChI=1S/C15H22N4O/c1-18-6-3-4-14(18)10-16-8-12-5-7-20-15(12)13-9-17-19(2)11-13/h3-4,6,9,11-12,15-16H,5,7-8,10H2,1-2H3/t12-,15+/m0/s1
InChIKeyINMQVYMPKMLXQP-SWLSCSKDSA-N
MW274.37 g/mol
LogP1.63
Rot. Bonds5

About 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine (PubChem CID 97075757) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
PubChem CID97075757
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCn1cc([C@@H]2OCC[C@H]2CNCc2cccn2C)cn1
InChIInChI=1S/C15H22N4O/c1-18-6-3-4-14(18)10-16-8-12-5-7-20-15(12)13-9-17-19(2)11-13/h3-4,6,9,11-12,15-16H,5,7-8,10H2,1-2H3/t12-,15+/m0/s1
InChIKeyINMQVYMPKMLXQP-SWLSCSKDSA-N
XLogP1.63
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97007866
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
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-[(1-methylpyrrol-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 128998062
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 71929280

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine (CID 97075757) is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine is Cn1cc([C@@H]2OCC[C@H]2CNCc2cccn2C)cn1.
What is the InChIKey of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The InChIKey is INMQVYMPKMLXQP-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-6-3-4-14(18)10-16-8-12-5-7-20-15(12)13-9-17-19(2)11-13/h3-4,6,9,11-12,15-16H,5,7-8,10H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 97075757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).