N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide

C15H23F3N6O3 — CID 72694693

IUPACN-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide
SMILESCOCC(C)/N=C(\NC(=O)CN1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H23F3N6O3/c1-10(9-26-2)19-14(20-12-7-11(22-23-12)15(16,17)18)21-13(25)8-24-3-5-27-6-4-24/h7,10H,3-6,8-9H2,1-2H3,(H3,19,20,21,22,23,25)
InChIKeyYRHXJQNVLTVFRD-UHFFFAOYSA-N
MW392.38 g/mol
LogP0.68
Rot. Bonds6

About N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide

N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide (PubChem CID 72694693) has the molecular formula C15H23F3N6O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide
PubChem CID72694693
Molecular FormulaC15H23F3N6O3
Molecular Weight392.38 g/mol
Exact Mass392.18
IUPAC NameN-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide
SMILESCOCC(C)/N=C(\NC(=O)CN1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H23F3N6O3/c1-10(9-26-2)19-14(20-12-7-11(22-23-12)15(16,17)18)21-13(25)8-24-3-5-27-6-4-24/h7,10H,3-6,8-9H2,1-2H3,(H3,19,20,21,22,23,25)
InChIKeyYRHXJQNVLTVFRD-UHFFFAOYSA-N
XLogP0.68
TPSA103.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide (CID 72694693) is N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide is COCC(C)/N=C(\NC(=O)CN1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide?
The InChIKey is YRHXJQNVLTVFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N6O3/c1-10(9-26-2)19-14(20-12-7-11(22-23-12)15(16,17)18)21-13(25)8-24-3-5-27-6-4-24/h7,10H,3-6,8-9H2,1-2H3,(H3,19,20,21,22,23,25).
What are the key properties of N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide?
N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide has a molecular weight of 392.38 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 72694693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).