5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine

C13H24N4O — CID 66018904

IUPAC5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCC(COC)C2)c1N
InChIInChI=1S/C13H24N4O/c1-4-5-11-12(14)13(16(2)15-11)17-7-6-10(8-17)9-18-3/h10H,4-9,14H2,1-3H3
InChIKeyLKMBJELGYHLXDW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.43
Rot. Bonds5

About 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine

5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018904) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018904
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCC(COC)C2)c1N
InChIInChI=1S/C13H24N4O/c1-4-5-11-12(14)13(16(2)15-11)17-7-6-10(8-17)9-18-3/h10H,4-9,14H2,1-3H3
InChIKeyLKMBJELGYHLXDW-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66020017
1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine
CID 79174452
1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine
CID 66018117
5-(3-ethyl-4-methylpiperazin-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66018899
5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine
CID 66018866
1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine
CID 66018504
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpiperidine-4-carboxamide
CID 66017883
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 64598322
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine
CID 66018437
5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66019488

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine (CID 66018904) is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCC(COC)C2)c1N.
What is the InChIKey of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is LKMBJELGYHLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-11-12(14)13(16(2)15-11)17-7-6-10(8-17)9-18-3/h10H,4-9,14H2,1-3H3.
What are the key properties of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine?
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).