1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine

C14H22N4O — CID 75484969

IUPAC1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCOCCn1nc(C)c(NCc2ccn(C)c2)c1C
InChIInChI=1S/C14H22N4O/c1-11-14(12(2)18(16-11)7-8-19-4)15-9-13-5-6-17(3)10-13/h5-6,10,15H,7-9H2,1-4H3
InChIKeyFHLAEMPABFNAOB-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.10
Rot. Bonds6

About 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine

1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine (PubChem CID 75484969) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
PubChem CID75484969
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCOCCn1nc(C)c(NCc2ccn(C)c2)c1C
InChIInChI=1S/C14H22N4O/c1-11-14(12(2)18(16-11)7-8-19-4)15-9-13-5-6-17(3)10-13/h5-6,10,15H,7-9H2,1-4H3
InChIKeyFHLAEMPABFNAOB-UHFFFAOYSA-N
XLogP2.10
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine (CID 75484969) is 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine is COCCn1nc(C)c(NCc2ccn(C)c2)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is FHLAEMPABFNAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-14(12(2)18(16-11)7-8-19-4)15-9-13-5-6-17(3)10-13/h5-6,10,15H,7-9H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75484969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).