4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide

C14H24N4O3 — CID 83101398

IUPAC4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1c(CO)c(C)nn1C
InChIInChI=1S/C14H24N4O3/c1-4-5-15-13(20)12-9-21-7-6-18(12)14-11(8-19)10(2)16-17(14)3/h12,19H,4-9H2,1-3H3,(H,15,20)
InChIKeySRSTUJCFNZGXPA-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.05
Rot. Bonds5

About 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide

4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide (PubChem CID 83101398) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide
PubChem CID83101398
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1c(CO)c(C)nn1C
InChIInChI=1S/C14H24N4O3/c1-4-5-15-13(20)12-9-21-7-6-18(12)14-11(8-19)10(2)16-17(14)3/h12,19H,4-9H2,1-3H3,(H,15,20)
InChIKeySRSTUJCFNZGXPA-UHFFFAOYSA-N
XLogP-0.05
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N-ethylmorpholine-3-carboxamide
CID 83103965
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
CID 54989738
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide (CID 83101398) is 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1c(CO)c(C)nn1C.
What is the InChIKey of 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide?
The InChIKey is SRSTUJCFNZGXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-5-15-13(20)12-9-21-7-6-18(12)14-11(8-19)10(2)16-17(14)3/h12,19H,4-9H2,1-3H3,(H,15,20).
What are the key properties of 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide?
4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83101398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).