3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H28N4O2 — CID 118769485

IUPAC3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H28N4O2/c1-11-9-21(10-12(2)23-11)8-4-7-18-17(22)15-13(3)19-20-16(15)14-5-6-14/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,20)/t11-,12+
InChIKeyOGSUFEAQGVLGBU-TXEJJXNPSA-N
MW320.44 g/mol
LogP1.82
Rot. Bonds6

About 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide

3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118769485) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID118769485
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H28N4O2/c1-11-9-21(10-12(2)23-11)8-4-7-18-17(22)15-13(3)19-20-16(15)14-5-6-14/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,20)/t11-,12+
InChIKeyOGSUFEAQGVLGBU-TXEJJXNPSA-N
XLogP1.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 118769485) is 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C2CC2)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OGSUFEAQGVLGBU-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11-9-21(10-12(2)23-11)8-4-7-18-17(22)15-13(3)19-20-16(15)14-5-6-14/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,20)/t11-,12+.
What are the key properties of 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118769485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).