4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide

C13H23N5O2 — CID 18420127

IUPAC4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(CCN2CCOCC2)c(C(N)=O)c1N
InChIInChI=1S/C13H23N5O2/c1-2-3-10-11(14)12(13(15)19)18(16-10)5-4-17-6-8-20-9-7-17/h2-9,14H2,1H3,(H2,15,19)
InChIKeySJZUUOCNLPIJQH-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.15
Rot. Bonds6

About 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide

4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide (PubChem CID 18420127) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide
PubChem CID18420127
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(CCN2CCOCC2)c(C(N)=O)c1N
InChIInChI=1S/C13H23N5O2/c1-2-3-10-11(14)12(13(15)19)18(16-10)5-4-17-6-8-20-9-7-17/h2-9,14H2,1H3,(H2,15,19)
InChIKeySJZUUOCNLPIJQH-UHFFFAOYSA-N
XLogP-0.15
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide (CID 18420127) is 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide is CCCc1nn(CCN2CCOCC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide?
The InChIKey is SJZUUOCNLPIJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-3-10-11(14)12(13(15)19)18(16-10)5-4-17-6-8-20-9-7-17/h2-9,14H2,1H3,(H2,15,19).
What are the key properties of 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide?
4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-morpholin-4-ylethyl)-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 18420127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).