3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C21H22N6O5 — CID 19513463

IUPAC3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H22N6O5/c1-2-27-19(21(29)26-5-7-30-8-6-26)16(11-22-27)23-20(28)15-10-14(24-25-15)13-3-4-17-18(9-13)32-12-31-17/h3-4,9-11H,2,5-8,12H2,1H3,(H,23,28)(H,24,25)
InChIKeyFQZSAPRPAOSPHL-UHFFFAOYSA-N
MW438.44 g/mol
LogP1.75
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19513463) has the molecular formula C21H22N6O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID19513463
Molecular FormulaC21H22N6O5
Molecular Weight438.44 g/mol
Exact Mass438.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H22N6O5/c1-2-27-19(21(29)26-5-7-30-8-6-26)16(11-22-27)23-20(28)15-10-14(24-25-15)13-3-4-17-18(9-13)32-12-31-17/h3-4,9-11H,2,5-8,12H2,1H3,(H,23,28)(H,24,25)
InChIKeyFQZSAPRPAOSPHL-UHFFFAOYSA-N
XLogP1.75
TPSA123.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509579
3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510190
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
3-(1,3-benzodioxol-5-yl)-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 19513302
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509273
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19338922
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 19513463) is 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is CCn1ncc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1C(=O)N1CCOCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is FQZSAPRPAOSPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O5/c1-2-27-19(21(29)26-5-7-30-8-6-26)16(11-22-27)23-20(28)15-10-14(24-25-15)13-3-4-17-18(9-13)32-12-31-17/h3-4,9-11H,2,5-8,12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).