1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C13H23N3O — CID 114104938

IUPAC1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC1OCCC1CNCc1cnn(C(C)C)c1
InChIInChI=1S/C13H23N3O/c1-10(2)16-9-12(7-15-16)6-14-8-13-4-5-17-11(13)3/h7,9-11,13-14H,4-6,8H2,1-3H3
InChIKeyAOHOYSWGBWLJHK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 114104938) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID114104938
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC1OCCC1CNCc1cnn(C(C)C)c1
InChIInChI=1S/C13H23N3O/c1-10(2)16-9-12(7-15-16)6-14-8-13-4-5-17-11(13)3/h7,9-11,13-14H,4-6,8H2,1-3H3
InChIKeyAOHOYSWGBWLJHK-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
4-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468068
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
CID 114104967
N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 115624288
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103700717

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 114104938) is 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC1OCCC1CNCc1cnn(C(C)C)c1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is AOHOYSWGBWLJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-9-12(7-15-16)6-14-8-13-4-5-17-11(13)3/h7,9-11,13-14H,4-6,8H2,1-3H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 114104938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).