[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine

C14H25N5O — CID 63171037

IUPAC[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1CN
InChIInChI=1S/C14H25N5O/c1-11-13(9-15)14(17(2)16-11)19-4-3-12(10-19)18-5-7-20-8-6-18/h12H,3-10,15H2,1-2H3
InChIKeyMQBSRFQLUCYAJM-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.10
Rot. Bonds3

About [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine (PubChem CID 63171037) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
PubChem CID63171037
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1CN
InChIInChI=1S/C14H25N5O/c1-11-13(9-15)14(17(2)16-11)19-4-3-12(10-19)18-5-7-20-8-6-18/h12H,3-10,15H2,1-2H3
InChIKeyMQBSRFQLUCYAJM-UHFFFAOYSA-N
XLogP0.10
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine (CID 63171037) is [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine is Cc1nn(C)c(N2CCC(N3CCOCC3)C2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine?
The InChIKey is MQBSRFQLUCYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-13(9-15)14(17(2)16-11)19-4-3-12(10-19)18-5-7-20-8-6-18/h12H,3-10,15H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 63171037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).