N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C19H19F3N6O2 — CID 156672984

IUPACN-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESNc1cc(OC2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)c2nccnc2c1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)16-9-14(27-28-16)18(29)26-11-1-3-12(4-2-11)30-15-8-10(23)7-13-17(15)25-6-5-24-13/h5-9,11-12H,1-4,23H2,(H,26,29)(H,27,28)
InChIKeyDSVHVOZTZJNAGY-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.07
Rot. Bonds4

About N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 156672984) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID156672984
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESNc1cc(OC2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)c2nccnc2c1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)16-9-14(27-28-16)18(29)26-11-1-3-12(4-2-11)30-15-8-10(23)7-13-17(15)25-6-5-24-13/h5-9,11-12H,1-4,23H2,(H,26,29)(H,27,28)
InChIKeyDSVHVOZTZJNAGY-UHFFFAOYSA-N
XLogP3.07
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 156672984) is N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Nc1cc(OC2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)c2nccnc2c1.
What is the InChIKey of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DSVHVOZTZJNAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c20-19(21,22)16-9-14(27-28-16)18(29)26-11-1-3-12(4-2-11)30-15-8-10(23)7-13-17(15)25-6-5-24-13/h5-9,11-12H,1-4,23H2,(H,26,29)(H,27,28).
What are the key properties of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 156672984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).