N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide

C18H21F3N4O — CID 1259390

IUPACN-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)16-12-8-4-5-9-13(12)23-15-10-14(24-25(15)16)17(26)22-11-6-2-1-3-7-11/h10-11H,1-9H2,(H,22,26)
InChIKeyIMLBCTSGIYRTNV-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.69
Rot. Bonds2

About N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide

N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide (PubChem CID 1259390) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide
PubChem CID1259390
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)16-12-8-4-5-9-13(12)23-15-10-14(24-25(15)16)17(26)22-11-6-2-1-3-7-11/h10-11H,1-9H2,(H,22,26)
InChIKeyIMLBCTSGIYRTNV-UHFFFAOYSA-N
XLogP3.69
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide?
The IUPAC name of N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide (CID 1259390) is N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide?
The canonical SMILES for N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide is O=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3.
What is the InChIKey of N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide?
The InChIKey is IMLBCTSGIYRTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)16-12-8-4-5-9-13(12)23-15-10-14(24-25(15)16)17(26)22-11-6-2-1-3-7-11/h10-11H,1-9H2,(H,22,26).
What are the key properties of N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide?
N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide is sourced from PubChem (CID 1259390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).