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

C16H22N6O3 — CID 19582251

IUPAC1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(CC)c2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H22N6O3/c1-3-21-11-12(9-17-21)15(23)19-13-10-18-22(4-2)14(13)16(24)20-5-7-25-8-6-20/h9-11H,3-8H2,1-2H3,(H,19,23)
InChIKeyWLIOJPHFHYYQDM-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.84
Rot. Bonds5

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

1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 19582251) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID19582251
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(CC)c2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H22N6O3/c1-3-21-11-12(9-17-21)15(23)19-13-10-18-22(4-2)14(13)16(24)20-5-7-25-8-6-20/h9-11H,3-8H2,1-2H3,(H,19,23)
InChIKeyWLIOJPHFHYYQDM-UHFFFAOYSA-N
XLogP0.84
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide (CID 19582251) is 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cnn(CC)c2C(=O)N2CCOCC2)cn1.
What is the InChIKey of 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is WLIOJPHFHYYQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-3-21-11-12(9-17-21)15(23)19-13-10-18-22(4-2)14(13)16(24)20-5-7-25-8-6-20/h9-11H,3-8H2,1-2H3,(H,19,23).
What are the key properties of 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide?
1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19582251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).