1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

C9H14N4O2 — CID 4768097

IUPAC1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN2CCOCC2)n1
InChIInChI=1S/C9H14N4O2/c1-12-3-2-8(10-12)9(14)11-13-4-6-15-7-5-13/h2-3H,4-7H2,1H3,(H,11,14)
InChIKeyZBFLUJWDOQAEFI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.60
Rot. Bonds2

About 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 4768097) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID4768097
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN2CCOCC2)n1
InChIInChI=1S/C9H14N4O2/c1-12-3-2-8(10-12)9(14)11-13-4-6-15-7-5-13/h2-3H,4-7H2,1H3,(H,11,14)
InChIKeyZBFLUJWDOQAEFI-UHFFFAOYSA-N
XLogP-0.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 4768097) is 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is Cn1ccc(C(=O)NN2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is ZBFLUJWDOQAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-3-2-8(10-12)9(14)11-13-4-6-15-7-5-13/h2-3H,4-7H2,1H3,(H,11,14).
What are the key properties of 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 4768097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).