1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide

C18H25N5O2 — CID 86850082

IUPAC1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-4-23-16(12-15(21-23)13(2)3)18(24)20-14-6-5-7-19-17(14)22-8-10-25-11-9-22/h5-7,12-13H,4,8-11H2,1-3H3,(H,20,24)
InChIKeyKAQUQBHFPUSWBE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.51
Rot. Bonds5

About 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 86850082) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID86850082
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-4-23-16(12-15(21-23)13(2)3)18(24)20-14-6-5-7-19-17(14)22-8-10-25-11-9-22/h5-7,12-13H,4,8-11H2,1-3H3,(H,20,24)
InChIKeyKAQUQBHFPUSWBE-UHFFFAOYSA-N
XLogP2.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 86850082) is 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1cccnc1N1CCOCC1.
What is the InChIKey of 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is KAQUQBHFPUSWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-23-16(12-15(21-23)13(2)3)18(24)20-14-6-5-7-19-17(14)22-8-10-25-11-9-22/h5-7,12-13H,4,8-11H2,1-3H3,(H,20,24).
What are the key properties of 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 86850082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).