[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine

C13H24N4O — CID 55241142

IUPAC[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(OCCC2CCCN2C)c1CN
InChIInChI=1S/C13H24N4O/c1-10-12(9-14)13(17(3)15-10)18-8-6-11-5-4-7-16(11)2/h11H,4-9,14H2,1-3H3
InChIKeyKCCDNDWUUOLHRU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.05
Rot. Bonds5

About [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine

[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine (PubChem CID 55241142) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine
PubChem CID55241142
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(OCCC2CCCN2C)c1CN
InChIInChI=1S/C13H24N4O/c1-10-12(9-14)13(17(3)15-10)18-8-6-11-5-4-7-16(11)2/h11H,4-9,14H2,1-3H3
InChIKeyKCCDNDWUUOLHRU-UHFFFAOYSA-N
XLogP1.05
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazole-4-carboxylic acid
CID 55243865
[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
CID 77067948
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
4-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3,5-triazin-2-amine
CID 80870804
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine (CID 55241142) is [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine is Cc1nn(C)c(OCCC2CCCN2C)c1CN.
What is the InChIKey of [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine?
The InChIKey is KCCDNDWUUOLHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(9-14)13(17(3)15-10)18-8-6-11-5-4-7-16(11)2/h11H,4-9,14H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine is sourced from PubChem (CID 55241142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).