1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine

C15H27N5O — CID 66018117

IUPAC1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1N
InChIInChI=1S/C15H27N5O/c1-3-4-13-14(16)15(18(2)17-13)20-6-5-12(11-20)19-7-9-21-10-8-19/h12H,3-11,16H2,1-2H3
InChIKeyWMRPQZHGOJJXJH-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.87
Rot. Bonds4

About 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine

1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine (PubChem CID 66018117) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine
PubChem CID66018117
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1N
InChIInChI=1S/C15H27N5O/c1-3-4-13-14(16)15(18(2)17-13)20-6-5-12(11-20)19-7-9-21-10-8-19/h12H,3-11,16H2,1-2H3
InChIKeyWMRPQZHGOJJXJH-UHFFFAOYSA-N
XLogP0.87
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine (CID 66018117) is 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1N.
What is the InChIKey of 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine?
The InChIKey is WMRPQZHGOJJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-4-13-14(16)15(18(2)17-13)20-6-5-12(11-20)19-7-9-21-10-8-19/h12H,3-11,16H2,1-2H3.
What are the key properties of 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine?
1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine has a molecular weight of 293.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).