1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine

C11H21N3O — CID 115920642

IUPAC1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine
SMILESCOCC(C)NC(C)(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(8-15-5)13-11(2,3)10-6-12-14(4)7-10/h6-7,9,13H,8H2,1-5H3
InChIKeyVPJWNMSUMFQBTB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.28
Rot. Bonds5

About 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine

1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine (PubChem CID 115920642) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine
PubChem CID115920642
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine
SMILESCOCC(C)NC(C)(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(8-15-5)13-11(2,3)10-6-12-14(4)7-10/h6-7,9,13H,8H2,1-5H3
InChIKeyVPJWNMSUMFQBTB-UHFFFAOYSA-N
XLogP1.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
4-(4-bromo-2-methylpentan-2-yl)-1-methylpyrazole
CID 64717917
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)propan-2-amine
CID 155764640
6-(4-tert-butylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;6-(4-ethylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517932
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 62127829

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine (CID 115920642) is 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine is COCC(C)NC(C)(C)c1cnn(C)c1.
What is the InChIKey of 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine?
The InChIKey is VPJWNMSUMFQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(8-15-5)13-11(2,3)10-6-12-14(4)7-10/h6-7,9,13H,8H2,1-5H3.
What are the key properties of 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine?
1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine is sourced from PubChem (CID 115920642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).