N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C17H24N6O2 — CID 136564392

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)Nc3cnn(C4CCC4)c3)CCO2)cn1
InChIInChI=1S/C17H24N6O2/c1-17(13-8-18-21(2)10-13)12-22(6-7-25-17)16(24)20-14-9-19-23(11-14)15-4-3-5-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,24)
InChIKeyMHXDMFVXNLOQPT-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.12
Rot. Bonds3

About N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 136564392) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID136564392
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)Nc3cnn(C4CCC4)c3)CCO2)cn1
InChIInChI=1S/C17H24N6O2/c1-17(13-8-18-21(2)10-13)12-22(6-7-25-17)16(24)20-14-9-19-23(11-14)15-4-3-5-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,24)
InChIKeyMHXDMFVXNLOQPT-UHFFFAOYSA-N
XLogP2.12
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 136564392) is N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is Cn1cc(C2(C)CN(C(=O)Nc3cnn(C4CCC4)c3)CCO2)cn1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is MHXDMFVXNLOQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(13-8-18-21(2)10-13)12-22(6-7-25-17)16(24)20-14-9-19-23(11-14)15-4-3-5-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,24).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 136564392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).